[6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=CC4=C3C(=O)C=C(C4=O)N5CC5

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=CC4=C3C(=O)C=C(C4=O)N5CC5

InChI

InChI=1S/C24H20N2O5S/c1-25(2)18-9-3-7-16-15(18)6-5-11-22(16)32(29,30)31-21-10-4-8-17-23(21)20(27)14-19(24(17)28)26-12-13-26/h3-11,14H,12-13H2,1-2H3