(3S)-N-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-acetylanilino)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-acetylanilino)-2-oxoethyl]-1-(benzenesulfonyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-acetylanilino)-2-oxoethyl]-1-(benzenesulfonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-acetylanilino)-2-keto-ethyl]-1-besyl-nipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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