methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-[(3,4-dichlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(3,4-dichlorobenzyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O5S/c1-14-3-5-17(22(28)31-2)12-20(14)25-21(27)16-7-9-26(10-8-16)32(29,30)13-15-4-6-18(23)19(24)11-15/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,25,27)