methyl 2-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[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=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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