(2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide

Systemtic Name: (2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-(2-amino-2-oxo-ethyl)-3-(1H-indol-3-yl)-2-(m-tolylsulfonylamino)propanamide CAS Name: (2S)-N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-(2-amino-2-keto-ethyl)-3-(1H-indol-3-yl)-2-(m-tolylsulfonylamino)propionamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N

InChI

InChI=1S/C20H22N4O4S/c1-13-5-4-6-15(9-13)29(27,28)24-18(20(26)23-12-19(21)25)10-14-11-22-17-8-3-2-7-16(14)17/h2-9,11,18,22,24H,10,12H2,1H3,(H2,21,25)(H,23,26)/t18-/m0/s1