(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-anilino-1-methyl-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-anilino-2-keto-1-methyl-ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O5S/c1-16(21(26)24-18-8-4-3-5-9-18)23-22(27)17-7-6-14-25(15-17)31(28,29)20-12-10-19(30-2)11-13-20/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,23,27)(H,24,26)/t16-,17-/m0/s1