2-[[2-(phenylmethylsulfanyl)phenyl]amino]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[2-(phenylmethylsulfanyl)phenyl]amino]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(2-benzylsulfanylanilino)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[2-(phenylmethylthio)anilino]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2-benzylsulfanylanilino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)anilino]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S2/c30-26(19-27-24-14-5-6-15-25(24)33-20-21-10-3-1-4-11-21)28-22-12-9-13-23(18-22)34(31,32)29-16-7-2-8-17-29/h1,3-6,9-15,18,27H,2,7-8,16-17,19-20H2,(H,28,30)