dimethyl 2-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O7S/c1-33-24(29)20-10-11-21(25(30)34-2)22(17-20)26-23(28)19-12-14-27(15-13-19)35(31,32)16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,6,9,12-16H2,1-2H3,(H,26,28)