4-[[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methylamino]methyl]benzenesulfonamide CAS Name: 4-[[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methylamino]methyl]benzenesulfonamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C2C=CC(=O)C(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)N)N1)C

Isomeric SMILES

CC1=CN=C(/C(=C/2\C=CC(=O)C(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)N)/N1)C

InChI

InChI=1S/C20H22N4O3S/c1-13-10-23-14(2)20(24-13)16-5-8-19(25)17(9-16)12-22-11-15-3-6-18(7-4-15)28(21,26)27/h3-10,22,24H,11-12H2,1-2H3,(H2,21,26,27)/b20-16-