2-[(4-acetamidophenyl)sulfonyl-butyl-amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-butyl-amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-butyl-amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-butylamino]-N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butylacetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-butylamino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butylacetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-butyl-amino]-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-acetamide Formula: C30H39BrN4O4S MolecularWeight: 631.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCC)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCC)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C30H39BrN4O4S/c1-4-6-18-34(22-28-9-8-19-33(28)21-25-10-12-26(31)13-11-25)30(37)23-35(20-7-5-2)40(38,39)29-16-14-27(15-17-29)32-24(3)36/h8-17,19H,4-7,18,20-23H2,1-3H3,(H,32,36)