N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]phenyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC(C)(C)C

InChI

InChI=1S/C25H33N3O4S/c1-18-9-5-6-10-20(18)17-33(31,32)28-15-13-19(14-16-28)23(29)26-22-12-8-7-11-21(22)24(30)27-25(2,3)4/h5-12,19H,13-17H2,1-4H3,(H,26,29)(H,27,30)