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

Systemtic Name: ethyl 3-chloranyl-4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-chloro-4-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-chloro-4-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O5S/c1-2-32-24(29)20-10-11-22(21(25)17-20)26-23(28)19-12-14-27(15-13-19)33(30,31)16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19H,2,6,9,12-16H2,1H3,(H,26,28)