[2-azanyl-1-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-1-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-1-(1H-indol-3-yl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-1-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-amino-1-(1H-indol-3-yl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-1-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CNC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CNC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C17H16N2O4S/c1-11-6-8-12(9-7-11)24(21,22)23-16(17(18)20)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,19H,1H3,(H2,18,20)