1-[(3-bromophenyl)methylsulfonyl]-N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]isonipecotamide Formula: C30H34BrN3O4S MolecularWeight: 612.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C30H34BrN3O4S/c1-30(2,3)24-12-10-22(11-13-24)28(35)32-26-8-5-9-27(19-26)33-29(36)23-14-16-34(17-15-23)39(37,38)20-21-6-4-7-25(31)18-21/h4-13,18-19,23H,14-17,20H2,1-3H3,(H,32,35)(H,33,36)