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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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