methyl 4-chloranyl-3-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[(1-p-phenetylsulfonylisonipecotoyl)amino]benzoic acid methyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-3-31-17-5-7-18(8-6-17)32(28,29)25-12-10-15(11-13-25)21(26)24-20-14-16(22(27)30-2)4-9-19(20)23/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,26)