N-[(2R)-2-benzamidocyclohexyl]-1-(4-tert-butylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-tert-butylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-tert-butylphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-tert-butylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-tert-butylphenyl)sulfonyl-nipecotamide Formula: C29H39N3O4S MolecularWeight: 525.70266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCC[C@H]3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H39N3O4S/c1-29(2,3)23-15-17-24(18-16-23)37(35,36)32-19-9-12-22(20-32)28(34)31-26-14-8-7-13-25(26)30-27(33)21-10-5-4-6-11-21/h4-6,10-11,15-18,22,25-26H,7-9,12-14,19-20H2,1-3H3,(H,30,33)(H,31,34)/t22?,25-,26?/m1/s1