[4-(cyanomethyl)phenyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(cyanomethyl)phenyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(cyanomethyl)phenyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [4-(cyanomethyl)phenyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)CC#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O4S2/c19-10-7-14-3-5-16(6-4-14)24-18(21)15-8-11-20(12-9-15)26(22,23)17-2-1-13-25-17/h1-6,13,15H,7-9,11-12H2