methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-methyl-benzoate CAS Name: 3-[[[1-[(3,4-dichlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[[1-(3,4-dichlorobenzyl)sulfonylisonipecotoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

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