N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C)C(C)(C)C

InChI

InChI=1S/C27H35N3O3S/c1-19-16-23(27(3,4)5)17-20(2)25(19)10-13-29-26(31)22-11-14-30(15-12-22)34(32,33)24-8-6-21(18-28)7-9-24/h6-9,16-17,22H,10-15H2,1-5H3,(H,29,31)