4-[2-(4-cyano-3-methyl-phenyl)-1-piperidin-4-yl-heptyl]benzenesulfonamide

Systemtic Name: 4-[2-(4-cyano-3-methyl-phenyl)-1-piperidin-4-yl-heptyl]benzenesulfonamide Openeye Name: 4-[2-(4-cyano-3-methyl-phenyl)-1-(4-piperidyl)heptyl]benzenesulfonamide CAS Name: 4-[2-(4-cyano-3-methylphenyl)-1-(4-piperidinyl)heptyl]benzenesulfonamide IUPAC Name: 4-[2-(4-cyano-3-methylphenyl)-1-piperidin-4-ylheptyl]benzenesulfonamide Traditional Name: 4-[2-(4-cyano-3-methyl-phenyl)-1-(4-piperidyl)heptyl]benzenesulfonamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)C(C2CCNCC2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)C(C2CCNCC2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C26H35N3O2S/c1-3-4-5-6-25(22-7-8-23(18-27)19(2)17-22)26(21-13-15-29-16-14-21)20-9-11-24(12-10-20)32(28,30)31/h7-12,17,21,25-26,29H,3-6,13-16H2,1-2H3,(H2,28,30,31)