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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O6S/c1-31-22-11-10-17(14-23(22)33(29,30)26-12-6-2-3-7-13-26)24(28)32-16-21(27)19-15-25-20-9-5-4-8-18(19)20/h4-5,8-11,14-15,25H,2-3,6-7,12-13,16H2,1H3