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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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