N-[5-[[5-[[(3Z)-3-azanyl-3-hydroxyimino-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[(E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoyl]amino]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[5-[[5-[[(3Z)-3-azanyl-3-hydroxyimino-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[(E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoyl]amino]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[5-[[5-[[(3Z)-3-amino-3-hydroxyimino-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[(E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoyl]amino]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[5-[[[5-[[[(3Z)-3-amino-3-hydroxyiminopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[[(E)-3-[4-(2-chloroethylsulfinyl)phenyl]-1-oxoprop-2-enyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[5-[[5-[[(3Z)-3-amino-3-hydroxyiminopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[[(E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[5-[[5-[[(3Z)-3-amino-3-hydroximino-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[(E)-3-[4-(2-chloroethylsulfinyl)phenyl]acryloyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C32H36ClN9O6S MolecularWeight: 710.20294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=NO)N)C)NC(=O)C3=CC=C(N3C)NC(=O)C=CC4=CC=C(C=C4)S(=O)CCCl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCC/C(=N/O)/N)C)NC(=O)C3=CC=C(N3C)NC(=O)/C=C/C4=CC=C(C=C4)S(=O)CCCl

InChI

InChI=1S/C32H36ClN9O6S/c1-40-18-21(16-25(40)30(44)35-14-12-27(34)39-47)37-32(46)26-17-22(19-41(26)2)36-31(45)24-9-10-28(42(24)3)38-29(43)11-6-20-4-7-23(8-5-20)49(48)15-13-33/h4-11,16-19,47H,12-15H2,1-3H3,(H2,34,39)(H,35,44)(H,36,45)(H,37,46)(H,38,43)/b11-6+