sodium 1-azanyl-4-[[4-(naphthalen-2-ylsulfonylamino)cyclohexyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[4-(naphthalen-2-ylsulfonylamino)cyclohexyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[[4-(2-naphthylsulfonylamino)cyclohexyl]amino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[[4-(2-naphthalenylsulfonylamino)cyclohexyl]amino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[[4-(naphthalen-2-ylsulfonylamino)cyclohexyl]amino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-[[4-(2-naphthylsulfonylamino)cyclohexyl]amino]anthracene-2-sulfonate Formula: C30H26N3NaO7S2 MolecularWeight: 627.66311

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])NS(=O)(=O)C5=CC6=CC=CC=C6C=C5.[Na+]

Isomeric SMILES

C1CC(CCC1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])NS(=O)(=O)C5=CC6=CC=CC=C6C=C5.[Na+]

InChI

InChI=1S/C30H27N3O7S2.Na/c31-28-25(42(38,39)40)16-24(26-27(28)30(35)23-8-4-3-7-22(23)29(26)34)32-19-10-12-20(13-11-19)33-41(36,37)21-14-9-17-5-1-2-6-18(17)15-21;/h1-9,14-16,19-20,32-33H,10-13,31H2,(H,38,39,40);/q;+1/p-1