(Z)-1-ethoxy-3-[hept-6-enoyl-[2-(4-methylphenyl)sulfonylethyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-3-[hept-6-enoyl-[2-(4-methylphenyl)sulfonylethyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-1-ethoxy-3-[hept-6-enoyl-[2-(p-tolylsulfonyl)ethyl]amino]-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-[2-(4-methylphenyl)sulfonylethyl-(1-oxohept-6-enyl)amino]-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-1-ethoxy-3-[hept-6-enoyl-[2-(4-methylphenyl)sulfonylethyl]amino]-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-3-[hept-6-enoyl(2-tosylethyl)amino]-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C21H28N3O6S+ MolecularWeight: 450.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CCCCC=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CCCCC=C)\[N+]#N)/O

InChI

InChI=1S/C21H27N3O6S/c1-4-6-7-8-9-18(25)24(20(26)19(23-22)21(27)30-5-2)14-15-31(28,29)17-12-10-16(3)11-13-17/h4,10-13H,1,5-9,14-15H2,2-3H3/p+1