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

Systemtic Name: ethyl 3-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(3-phenylpropylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-2-31-24(28)20-12-6-14-22(17-20)25-23(27)21-13-7-15-26(18-21)32(29,30)16-8-11-19-9-4-3-5-10-19/h3-6,9-10,12,14,17,21H,2,7-8,11,13,15-16,18H2,1H3,(H,25,27)