5-[[(E)-3-[4-(2-chloroethylsulfonyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[3-(methylamino)-3-methylimino-propyl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide

Systemtic Name: 5-[[(E)-3-[4-(2-chloroethylsulfonyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[3-(methylamino)-3-methylimino-propyl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide Openeye Name: 5-[[(E)-3-[4-(2-chloroethylsulfonyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[3-(methylamino)-3-methylimino-propyl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide CAS Name: 5-[[(E)-3-[4-(2-chloroethylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-1-methyl-N-[1-methyl-5-[[[1-methyl-5-[[[3-(methylamino)-3-methyliminopropyl]amino]-oxomethyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]-2-pyrrolecarboxamide IUPAC Name: 5-[[(E)-3-[4-(2-chloroethylsulfonyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[3-(methylamino)-3-methyliminopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide Traditional Name: 5-[[(E)-3-[4-(2-chloroethylsulfonyl)phenyl]acryloyl]amino]-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[3-(methylamino)-3-methylimino-propyl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide Formula: C34H40ClN9O6S MolecularWeight: 738.2561

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)CCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC=C(N3C)NC(=O)C=CC4=CC=C(C=C4)S(=O)(=O)CCCl

Isomeric SMILES

CNC(=NC)CCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC=C(N3C)NC(=O)/C=C/C4=CC=C(C=C4)S(=O)(=O)CCCl

InChI

InChI=1S/C34H40ClN9O6S/c1-36-29(37-2)14-16-38-32(46)27-18-23(20-42(27)3)40-34(48)28-19-24(21-43(28)4)39-33(47)26-11-12-30(44(26)5)41-31(45)13-8-22-6-9-25(10-7-22)51(49,50)17-15-35/h6-13,18-21H,14-17H2,1-5H3,(H,36,37)(H,38,46)(H,39,47)(H,40,48)(H,41,45)/b13-8+