N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(3,4-dichlorobenzyl)sulfonyl-nipecotamide Formula: C30H32Cl2N2O4S MolecularWeight: 587.55708

Click to see the large picture

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)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C30H32Cl2N2O4S/c1-30(2,3)24-12-10-21(11-13-24)28(35)22-6-4-8-25(17-22)33-29(36)23-7-5-15-34(18-23)39(37,38)19-20-9-14-26(31)27(32)16-20/h4,6,8-14,16-17,23H,5,7,15,18-19H2,1-3H3,(H,33,36)