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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O5S/c1-14-5-7-16(22(28)31-2)11-20(14)25-21(27)17-4-3-9-26(12-17)32(29,30)13-15-6-8-18(23)19(24)10-15/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,25,27)