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

Systemtic Name: [2-oxidanylidene-2-[1-(phenylsulfonyl)indol-3-yl]ethyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(benzenesulfonyl)indol-3-yl]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-(benzenesulfonyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(benzenesulfonyl)indol-3-yl]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-besylindol-3-yl)-2-keto-ethyl] ester Formula: C23H19NO6S2 MolecularWeight: 469.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO6S2/c1-17-11-13-19(14-12-17)32(28,29)30-16-23(25)21-15-24(22-10-6-5-9-20(21)22)31(26,27)18-7-3-2-4-8-18/h2-15H,16H2,1H3