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

Systemtic Name: methyl 3-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[(1-p-phenetylsulfonylisonipecotoyl)amino]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-3-30-19-7-9-20(10-8-19)31(27,28)24-13-11-16(12-14-24)21(25)23-18-6-4-5-17(15-18)22(26)29-2/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25)