[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H21N3O6S/c1-13-21(17-5-3-4-6-18(17)23-13)19(26)12-30-20(27)11-22-31(28,29)16-9-7-15(8-10-16)24-14(2)25/h3-10,22-23H,11-12H2,1-2H3,(H,24,25)