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

Systemtic Name: (3S)-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[2-(benzylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(benzylamino)-2-keto-ethyl]-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)NCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c25-20(22-14-17-8-3-1-4-9-17)15-23-21(26)18-10-7-13-24(16-18)29(27,28)19-11-5-2-6-12-19/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,22,25)(H,23,26)/t18-/m0/s1