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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H37N3O4S/c1-22-8-10-23(11-9-22)21-39(37,38)34-18-16-25(17-19-34)30(36)33-28-7-5-6-27(20-28)32-29(35)24-12-14-26(15-13-24)31(2,3)4/h5-15,20,25H,16-19,21H2,1-4H3,(H,32,35)(H,33,36)