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

Systemtic Name: ethyl 3-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26Cl2N2O5S MolecularWeight: 513.43394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N2O5S/c1-3-32-23(29)18-6-4-15(2)21(13-18)26-22(28)17-8-10-27(11-9-17)33(30,31)14-16-5-7-19(24)20(25)12-16/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,26,28)