N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethylsulfonyl)-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

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