[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N)N1

InChI

InChI=1S/C21H23N3O4S/c1-28-21-4-2-3-19(24-21)16-7-10-20(25)17(13-16)14-23-12-11-15-5-8-18(9-6-15)29(22,26)27/h2-10,13,23-24H,11-12,14H2,1H3,(H2,22,26,27)/p+1