methyl 4,5-dimethoxy-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(1-besylisonipecotoyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O7S/c1-29-19-13-17(22(26)31-3)18(14-20(19)30-2)23-21(25)15-9-11-24(12-10-15)32(27,28)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,23,25)