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

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-1-[(4-chlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(4-chlorobenzyl)sulfonyl-isonipecotamide Formula: C30H33ClN2O4S MolecularWeight: 553.11202

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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

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

InChI

InChI=1S/C30H33ClN2O4S/c1-30(2,3)25-11-9-22(10-12-25)28(34)24-5-4-6-27(19-24)32-29(35)23-15-17-33(18-16-23)38(36,37)20-21-7-13-26(31)14-8-21/h4-14,19,23H,15-18,20H2,1-3H3,(H,32,35)