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

Systemtic Name: ethyl 2-chloranyl-4-[[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[1-(p-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-4-[[[1-[(4-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-chloro-4-[[1-(4-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S/c1-3-31-23(28)20-9-8-19(14-21(20)24)25-22(27)18-10-12-26(13-11-18)32(29,30)15-17-6-4-16(2)5-7-17/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,25,27)