N-[2-[4-(4-dodecylphenoxy)-7-oxidanylidene-6-phenylazanyl-benzo[e]perimidin-2-yl]phenyl]methanesulfonamide

Systemtic Name: N-[2-[4-(4-dodecylphenoxy)-7-oxidanylidene-6-phenylazanyl-benzo[e]perimidin-2-yl]phenyl]methanesulfonamide Openeye Name: N-[2-[6-anilino-4-(4-dodecylphenoxy)-7-oxo-benzo[e]perimidin-2-yl]phenyl]methanesulfonamide CAS Name: N-[2-[6-anilino-4-(4-dodecylphenoxy)-7-oxo-2-benzo[e]perimidinyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[6-anilino-4-(4-dodecylphenoxy)-7-oxobenzo[e]perimidin-2-yl]phenyl]methanesulfonamide Traditional Name: N-[2-[6-anilino-7-keto-4-(4-laurylphenoxy)benzo[e]perimidin-2-yl]phenyl]methanesulfonamide Formula: C46H48N4O4S MolecularWeight: 752.96272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OC2=C3C4=C(C(=C2)NC5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=NC(=N3)C7=CC=CC=C7NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OC2=C3C4=C(C(=C2)NC5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=NC(=N3)C7=CC=CC=C7NS(=O)(=O)C

InChI

InChI=1S/C46H48N4O4S/c1-3-4-5-6-7-8-9-10-11-13-20-32-27-29-34(30-28-32)54-40-31-39(47-33-21-14-12-15-22-33)41-42-43(35-23-16-17-24-36(35)45(41)51)48-46(49-44(40)42)37-25-18-19-26-38(37)50-55(2,52)53/h12,14-19,21-31,47,50H,3-11,13,20H2,1-2H3