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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H26N2O5S/c1-16-10-11-18(14-22(16)32(29,30)26-12-6-3-7-13-26)24(28)31-15-21(27)23-17(2)25-20-9-5-4-8-19(20)23/h4-5,8-11,14,25H,3,6-7,12-13,15H2,1-2H3