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

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-propyl-amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-propyl-amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexylacetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-propyl-amino]-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide Formula: C31H39BrN4O4S MolecularWeight: 643.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C31H39BrN4O4S/c1-3-19-35(41(39,40)30-17-15-27(16-18-30)33-24(2)37)23-31(38)36(28-8-5-4-6-9-28)22-29-10-7-20-34(29)21-25-11-13-26(32)14-12-25/h7,10-18,20,28H,3-6,8-9,19,21-23H2,1-2H3,(H,33,37)