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

Systemtic Name: methyl 4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-30-23(27)20-9-11-21(12-10-20)24-22(26)19-13-15-25(16-14-19)31(28,29)17-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-17H2,1H3,(H,24,26)