N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-2-[2-(1H-indol-3-yl)ethylamino]-2-keto-1-methyl-ethyl]isonipecotamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-18(24(30)26-14-11-20-17-27-23-10-6-5-9-22(20)23)28-25(31)19-12-15-29(16-13-19)34(32,33)21-7-3-2-4-8-21/h2-10,17-19,27H,11-16H2,1H3,(H,26,30)(H,28,31)/t18-/m0/s1