methyl 4-[2-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]ethyl]benzoic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H30N2O5S/c1-17-4-9-22(16-18(17)2)32(29,30)26-14-11-20(12-15-26)23(27)25-13-10-19-5-7-21(8-6-19)24(28)31-3/h4-9,16,20H,10-15H2,1-3H3,(H,25,27)