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

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28BrN3O3S/c27-22-8-7-9-24(18-22)30(34(32,33)25-10-3-1-4-11-25)20-26(31)28-19-21-12-14-23(15-13-21)29-16-5-2-6-17-29/h1,3-4,7-15,18H,2,5-6,16-17,19-20H2,(H,28,31)