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

Systemtic Name: ethyl 3-chloranyl-4-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 3-chloro-4-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-chloro-4-[[1-(3-phenylpropylsulfonyl)nipecotoyl]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)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

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