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

Systemtic Name: (3-cyanophenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (3-cyanophenyl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (3-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N2O4S/c1-16-9-11-23(12-10-16)28(25,26)20-7-5-19(6-8-20)21(24)27-15-18-4-2-3-17(13-18)14-22/h2-8,13,16H,9-12,15H2,1H3