(3-cyanophenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3-cyanophenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (3-cyanophenyl) 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (3-cyanophenyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c1-15-9-11-22(12-10-15)27(24,25)19-7-5-17(6-8-19)20(23)26-18-4-2-3-16(13-18)14-21/h2-8,13,15H,9-12H2,1H3