N-[(2S)-3-(1H-indol-3-yl)-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(3-methylsulfonylanilino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-(3-methylsulfonylanilino)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-(3-methylsulfonylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(3-mesylanilino)ethyl]thiophene-2-carboxamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O4S2/c1-32(29,30)17-7-4-6-16(13-17)25-22(27)20(26-23(28)21-10-5-11-31-21)12-15-14-24-19-9-3-2-8-18(15)19/h2-11,13-14,20,24H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m0/s1