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

Systemtic Name: ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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