[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O5S/c1-3-16-5-4-6-18-19(13-23-22(16)18)20(25)14-29-21(26)11-12-24-30(27,28)17-9-7-15(2)8-10-17/h4-10,13,23-24H,3,11-12,14H2,1-2H3