N-(2-cyanoethyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C22H25N3O3S/c23-13-4-14-24-29(27,28)21-9-7-20(8-10-21)22(26)25-15-11-19(12-16-25)17-18-5-2-1-3-6-18/h1-3,5-10,19,24H,4,11-12,14-17H2