methyl 4-[[(4-chlorophenyl)sulfonyl-(1-pyridin-3-ylcarbonylpiperidin-3-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(1-pyridin-3-ylcarbonylpiperidin-3-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-chlorophenyl)sulfonyl-[1-(pyridine-3-carbonyl)-3-piperidyl]amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-[1-[oxo(3-pyridinyl)methyl]-3-piperidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)sulfonyl-[1-(pyridine-3-carbonyl)piperidin-3-yl]amino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(1-nicotinoyl-3-piperidyl)amino]methyl]benzoic acid methyl ester Formula: C26H26ClN3O5S MolecularWeight: 528.01974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCCN(C2)C(=O)C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCCN(C2)C(=O)C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O5S/c1-35-26(32)20-8-6-19(7-9-20)17-30(36(33,34)24-12-10-22(27)11-13-24)23-5-3-15-29(18-23)25(31)21-4-2-14-28-16-21/h2,4,6-14,16,23H,3,5,15,17-18H2,1H3