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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-besyl-pipecolinamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c24-22(28)20(14-16-15-25-19-11-5-4-10-18(16)19)26-23(29)21-12-6-7-13-27(21)32(30,31)17-8-2-1-3-9-17/h1-5,8-11,15,20-21,25H,6-7,12-14H2,(H2,24,28)(H,26,29)/t20-,21-/m0/s1