1-(4-methylphenyl)sulfonyl-N-[1-oxidanylidene-1-(pentylamino)propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[1-oxidanylidene-1-(pentylamino)propan-2-yl]piperidine-4-carboxamide Openeye Name: N-[1-methyl-2-oxo-2-(pentylamino)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(pentylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(amylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCNC(=O)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H33N3O4S/c1-4-5-6-13-22-20(25)17(3)23-21(26)18-11-14-24(15-12-18)29(27,28)19-9-7-16(2)8-10-19/h7-10,17-18H,4-6,11-15H2,1-3H3,(H,22,25)(H,23,26)