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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C30H34FN3O4S MolecularWeight: 551.672063

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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=C(C=C4)F

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=C(C=C4)F

InChI

InChI=1S/C30H34FN3O4S/c1-30(2,3)24-11-9-22(10-12-24)28(35)32-26-5-4-6-27(19-26)33-29(36)23-15-17-34(18-16-23)39(37,38)20-21-7-13-25(31)14-8-21/h4-14,19,23H,15-18,20H2,1-3H3,(H,32,35)(H,33,36)