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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c1-15-3-2-12-22(14-15)27(24,25)19-10-6-17(7-11-19)20(23)26-18-8-4-16(13-21)5-9-18/h4-11,15H,2-3,12,14H2,1H3