(3S)-N-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(3-acetylanilino)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(3-acetylanilino)-2-oxoethyl]-1-(benzenesulfonyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(3-acetylanilino)-2-oxoethyl]-1-(benzenesulfonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(3-acetylanilino)-2-keto-ethyl]-1-besyl-nipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c1-16(26)17-7-5-9-19(13-17)24-21(27)14-23-22(28)18-8-6-12-25(15-18)31(29,30)20-10-3-2-4-11-20/h2-5,7,9-11,13,18H,6,8,12,14-15H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1