1-[2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[benzyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonylamino]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[benzyl(mesitylsulfonyl)amino]acetyl]isonipecotamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C24H31N3O4S/c1-17-13-18(2)23(19(3)14-17)32(30,31)27(15-20-7-5-4-6-8-20)16-22(28)26-11-9-21(10-12-26)24(25)29/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H2,25,29)