sodium 4-[7-oxidanylidene-6-[(phenylmethyl)amino]benzo[e]perimidin-2-yl]benzenesulfonate

Systemtic Name: sodium 4-[7-oxidanylidene-6-[(phenylmethyl)amino]benzo[e]perimidin-2-yl]benzenesulfonate Openeye Name: sodium 4-[6-(benzylamino)-7-oxo-benzo[e]perimidin-2-yl]benzenesulfonate CAS Name: sodium 4-[7-oxo-6-[(phenylmethyl)amino]-2-benzo[e]perimidinyl]benzenesulfonate IUPAC Name: sodium 4-[6-(benzylamino)-7-oxobenzo[e]perimidin-2-yl]benzenesulfonate Traditional Name: sodium 4-[6-(benzylamino)-7-keto-benzo[e]perimidin-2-yl]besylate Formula: C28H18N3NaO4S MolecularWeight: 515.51499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C4=C(C=C2)N=C(N=C4C5=CC=CC=C5C3=O)C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C4=C(C=C2)N=C(N=C4C5=CC=CC=C5C3=O)C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H19N3O4S.Na/c32-27-21-9-5-4-8-20(21)26-24-23(15-14-22(25(24)27)29-16-17-6-2-1-3-7-17)30-28(31-26)18-10-12-19(13-11-18)36(33,34)35;/h1-15,29H,16H2,(H,33,34,35);/q;+1/p-1