(3S)-N-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[2-oxo-2-(3-quinolylamino)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[2-oxo-2-(3-quinolinylamino)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[2-oxo-2-(quinolin-3-ylamino)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[2-keto-2-(3-quinolylamino)ethyl]nipecotamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H24N4O4S/c28-22(26-19-13-17-7-4-5-11-21(17)24-14-19)15-25-23(29)18-8-6-12-27(16-18)32(30,31)20-9-2-1-3-10-20/h1-5,7,9-11,13-14,18H,6,8,12,15-16H2,(H,25,29)(H,26,28)/t18-/m0/s1