[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[[4-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-[(4-piperidinosulfonylbenzoyl)amino]benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C29H30N2O8S MolecularWeight: 566.6221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C29H30N2O8S/c1-37-26-15-12-21(18-27(26)38-2)25(32)19-39-29(34)23-8-4-5-9-24(23)30-28(33)20-10-13-22(14-11-20)40(35,36)31-16-6-3-7-17-31/h4-5,8-15,18H,3,6-7,16-17,19H2,1-2H3,(H,30,33)