ethyl 2-chloranyl-4-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-2-chloro-benzoate CAS Name: 2-chloro-4-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-2-chlorobenzoate Traditional Name: 4-[(1-benzylsulfonylisonipecotoyl)amino]-2-chloro-benzoic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-2-30-22(27)19-9-8-18(14-20(19)23)24-21(26)17-10-12-25(13-11-17)31(28,29)15-16-6-4-3-5-7-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,24,26)