N-(4-methylpentan-2-yl)-4-(4-methylphenyl)sulfonyl-N-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-amine oxide

Systemtic Name: N-(4-methylpentan-2-yl)-4-(4-methylphenyl)sulfonyl-N-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-amine oxide Openeye Name: N-tert-butoxycarbonyl-N-(1,3-dimethylbutyl)-4-(p-tolylsulfonyl)piperazin-1-amine oxide CAS Name: N-(4-methylpentan-2-yl)-4-(4-methylphenyl)sulfonyl-N-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinamine oxide IUPAC Name: N-(4-methylpentan-2-yl)-4-(4-methylphenyl)sulfonyl-N-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-amine oxide Traditional Name: N-tert-butoxycarbonyl-N-(1,3-dimethylbutyl)-4-tosyl-piperazin-1-amine oxide Formula: C22H37N3O5S MolecularWeight: 455.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[N+](C(C)CC(C)C)(C(=O)OC(C)(C)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[N+](C(C)CC(C)C)(C(=O)OC(C)(C)C)[O-]

InChI

InChI=1S/C22H37N3O5S/c1-17(2)16-19(4)25(27,21(26)30-22(5,6)7)23-12-14-24(15-13-23)31(28,29)20-10-8-18(3)9-11-20/h8-11,17,19H,12-16H2,1-7H3