2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26BrN3O3S/c26-21-7-6-8-23(17-21)29(33(31,32)24-9-2-1-3-10-24)19-25(30)27-18-20-11-13-22(14-12-20)28-15-4-5-16-28/h1-3,6-14,17H,4-5,15-16,18-19H2,(H,27,30)