N-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(isopentylamino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isoamylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCCC(C)C

InChI

InChI=1S/C21H33N3O4S/c1-15(2)9-12-22-20(25)17(4)23-21(26)18-10-13-24(14-11-18)29(27,28)19-7-5-16(3)6-8-19/h5-8,15,17-18H,9-14H2,1-4H3,(H,22,25)(H,23,26)