N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(2-methylphenyl)phenyl]sulfonyl-4-(4-phenoxyphenyl)carbonyl-piperazine-2-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(2-methylphenyl)phenyl]sulfonyl-4-(4-phenoxyphenyl)carbonyl-piperazine-2-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(o-tolyl)phenyl]sulfonyl-4-(4-phenoxybenzoyl)piperazine-2-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[4-(2-methylphenyl)phenyl]sulfonyl-4-[oxo-(4-phenoxyphenyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(2-methylphenyl)phenyl]sulfonyl-4-(4-phenoxybenzoyl)piperazine-2-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(o-tolyl)phenyl]sulfonyl-4-(4-phenoxybenzoyl)piperazine-2-carboxamide Formula: C38H42N4O5S MolecularWeight: 666.82888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4C)C(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CCN1CCCC1CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4C)C(=O)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C38H42N4O5S/c1-3-40-23-9-11-31(40)26-39-37(43)36-27-41(38(44)30-15-19-33(20-16-30)47-32-12-5-4-6-13-32)24-25-42(36)48(45,46)34-21-17-29(18-22-34)35-14-8-7-10-28(35)2/h4-8,10,12-22,31,36H,3,9,11,23-27H2,1-2H3,(H,39,43)