methyl 3-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-[4-(4-cyanophenyl)phenyl]sulfonyl-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-[4-(4-cyanophenyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H25N3O5S/c1-35-26(31)22-3-2-4-23(17-22)29-27(32)30-15-13-25(14-16-30)36(33,34)24-11-9-21(10-12-24)20-7-5-19(18-28)6-8-20/h2-12,17,25H,13-16H2,1H3,(H,29,32)