[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H26N2O7S/c1-29-17-9-10-19(20(14-17)30-2)23-21(25)15-31-22(26)16-7-6-8-18(13-16)32(27,28)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,23,25)