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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-14-22(18-5-3-4-6-19(18)24-14)20(27)13-31-21(28)11-12-23-32(29,30)17-9-7-16(8-10-17)25-15(2)26/h3-10,23-24H,11-13H2,1-2H3,(H,25,26)