N-[(2Z)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-octoxy-7-oxidanylidene-3H-benzo[e]perimidin-6-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2Z)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-octoxy-7-oxidanylidene-3H-benzo[e]perimidin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2Z)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-octoxy-7-oxo-3H-benzo[e]perimidin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(2Z)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-4-octoxy-7-oxo-3H-benzo[e]perimidin-6-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2Z)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-4-octoxy-7-oxo-3H-benzo[e]perimidin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(2Z)-2-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-7-keto-4-octoxy-3H-benzo[e]perimidin-6-yl]-4-methyl-benzenesulfonamide Formula: C36H34ClN3O5S MolecularWeight: 656.19026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C3=C(C(=C1)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=NC(=C6C=C(C=CC6=O)Cl)N2

Isomeric SMILES

CCCCCCCCOC1=C2C3=C(C(=C1)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=N/C(=C\6/C=C(C=CC6=O)Cl)/N2

InChI

InChI=1S/C36H34ClN3O5S/c1-3-4-5-6-7-10-19-45-30-21-28(40-46(43,44)24-16-13-22(2)14-17-24)31-32-33(25-11-8-9-12-26(25)35(31)42)38-36(39-34(30)32)27-20-23(37)15-18-29(27)41/h8-9,11-18,20-21,39-40H,3-7,10,19H2,1-2H3/b36-27+