methyl 4-chloranyl-3-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S/c1-31-23(28)19-9-10-20(24)21(16-19)25-22(27)18-11-13-26(14-12-18)32(29,30)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16,18H,5,8,11-15H2,1H3,(H,25,27)