N-[3-[6-[(4-dodecylphenyl)amino]-4-methyl-7-oxidanylidene-benzo[e]perimidin-2-yl]-7-methoxy-naphthalen-2-yl]methanesulfonamide

Systemtic Name: N-[3-[6-[(4-dodecylphenyl)amino]-4-methyl-7-oxidanylidene-benzo[e]perimidin-2-yl]-7-methoxy-naphthalen-2-yl]methanesulfonamide Openeye Name: N-[3-[6-(4-dodecylanilino)-4-methyl-7-oxo-benzo[e]perimidin-2-yl]-7-methoxy-2-naphthyl]methanesulfonamide CAS Name: N-[3-[6-(4-dodecylanilino)-4-methyl-7-oxo-2-benzo[e]perimidinyl]-7-methoxy-2-naphthalenyl]methanesulfonamide IUPAC Name: N-[3-[6-(4-dodecylanilino)-4-methyl-7-oxobenzo[e]perimidin-2-yl]-7-methoxynaphthalen-2-yl]methanesulfonamide Traditional Name: N-[3-[7-keto-6-(4-laurylanilino)-4-methyl-benzo[e]perimidin-2-yl]-7-methoxy-2-naphthyl]methanesulfonamide Formula: C46H50N4O4S MolecularWeight: 754.9786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)NC2=C3C4=C(C(=C2)C)N=C(N=C4C5=CC=CC=C5C3=O)C6=C(C=C7C=C(C=CC7=C6)OC)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)NC2=C3C4=C(C(=C2)C)N=C(N=C4C5=CC=CC=C5C3=O)C6=C(C=C7C=C(C=CC7=C6)OC)NS(=O)(=O)C

InChI

InChI=1S/C46H50N4O4S/c1-5-6-7-8-9-10-11-12-13-14-17-31-20-23-34(24-21-31)47-40-26-30(2)43-42-41(40)45(51)37-19-16-15-18-36(37)44(42)49-46(48-43)38-28-32-22-25-35(54-3)27-33(32)29-39(38)50-55(4,52)53/h15-16,18-29,47,50H,5-14,17H2,1-4H3