N-butan-2-yl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]carbonyl-piperidine-3-carboxamide

Systemtic Name: N-butan-2-yl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]carbonyl-piperidine-3-carboxamide Openeye Name: N-sec-butyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide CAS Name: N-butan-2-yl-1-[oxo-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-butan-2-yl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide Traditional Name: 1-[3-(mesitylsulfonylamino)benzoyl]-N-sec-butyl-nipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC(C)NC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C26H35N3O4S/c1-6-20(5)27-25(30)22-10-8-12-29(16-22)26(31)21-9-7-11-23(15-21)28-34(32,33)24-18(3)13-17(2)14-19(24)4/h7,9,11,13-15,20,22,28H,6,8,10,12,16H2,1-5H3,(H,27,30)