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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C1=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/c1-19(2)25(21-8-10-23(11-9-21)27(3,4)5)29-26(31)22-14-16-30(17-15-22)34(32,33)24-12-6-20(18-28)7-13-24/h6-13,19,22,25H,14-17H2,1-5H3,(H,29,31)/t25-/m0/s1