[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H22N2O6S/c1-15-6-7-16(31(27,28)24-8-10-29-11-9-24)12-18(15)22(26)30-14-21(25)19-13-23-20-5-3-2-4-17(19)20/h2-7,12-13,23H,8-11,14H2,1H3