methyl 4,5-dimethoxy-2-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C25H32N2O7S MolecularWeight: 504.59578

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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)CCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H32N2O7S/c1-32-22-16-20(25(29)34-3)21(17-23(22)33-2)26-24(28)19-11-13-27(14-12-19)35(30,31)15-7-10-18-8-5-4-6-9-18/h4-6,8-9,16-17,19H,7,10-15H2,1-3H3,(H,26,28)