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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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