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

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

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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)C3CCN(CC3)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)C3CCN(CC3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

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