(3S)-N-(3-oxidanylidene-3-phenylazanyl-propyl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-oxidanylidene-3-phenylazanyl-propyl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-anilino-3-oxo-propyl)-1-(benzenesulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-anilino-3-oxopropyl)-1-(benzenesulfonyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-anilino-3-oxopropyl)-1-(benzenesulfonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-anilino-3-keto-propyl)-1-besyl-nipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c25-20(23-18-9-3-1-4-10-18)13-14-22-21(26)17-8-7-15-24(16-17)29(27,28)19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2,(H,22,26)(H,23,25)/t17-/m0/s1