[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O5S/c1-2-29(26,27)19-10-6-4-8-17(19)21(25)28-14-20(24)22-12-11-15-13-23-18-9-5-3-7-16(15)18/h3-10,13,23H,2,11-12,14H2,1H3,(H,22,24)