N-[5-[[5-[(3-azanyl-3-methylimino-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-[(3-azanyl-3-methylimino-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-[(3-amino-3-methylimino-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-[[(3-amino-3-methyliminopropyl)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-[(3-amino-3-methyliminopropyl)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-[(3-amino-3-methylimino-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: C33H38ClN9O5S MolecularWeight: 708.23012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(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)CCCl)N

Isomeric SMILES

CN=C(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)CCCl)N

InChI

InChI=1S/C33H38ClN9O5S/c1-36-28(35)13-15-37-31(45)26-17-22(19-41(26)2)39-33(47)27-18-23(20-42(27)3)38-32(46)25-10-11-29(43(25)4)40-30(44)12-7-21-5-8-24(9-6-21)49(48)16-14-34/h5-12,17-20H,13-16H2,1-4H3,(H2,35,36)(H,37,45)(H,38,46)(H,39,47)(H,40,44)/b12-7+