N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(4-methylsulfonylanilino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylsulfonylanilino)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylsulfonylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-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=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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