N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C32H38N2O4S MolecularWeight: 546.72012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C32H38N2O4S/c1-32(2,3)28-18-16-25(17-19-28)30(35)26-13-7-15-29(22-26)33-31(36)27-14-8-20-34(23-27)39(37,38)21-9-12-24-10-5-4-6-11-24/h4-7,10-11,13,15-19,22,27H,8-9,12,14,20-21,23H2,1-3H3,(H,33,36)