N-[1-(4-butylphenyl)-2-methyl-propyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(4-butylphenyl)-2-methylpropyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-butylphenyl)-2-methylpropyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H35N3O3S/c1-4-5-6-21-7-11-23(12-8-21)26(20(2)3)29-27(31)24-15-17-30(18-16-24)34(32,33)25-13-9-22(19-28)10-14-25/h7-14,20,24,26H,4-6,15-18H2,1-3H3,(H,29,31)