ethyl 4-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-chlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-chlorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-2-30-22(27)17-7-9-19(10-8-17)24-21(26)16-11-13-25(14-12-16)31(28,29)15-18-5-3-4-6-20(18)23/h3-10,16H,2,11-15H2,1H3,(H,24,26)