5-(4-aminophenyl)sulfonyl-2-azanyl-benzenesulfonate; tripentylazanium

Systemtic Name: 5-(4-aminophenyl)sulfonyl-2-azanyl-benzenesulfonate; tripentylazanium Openeye Name: 2-amino-5-(4-aminophenyl)sulfonyl-benzenesulfonate; tripentylammonium CAS Name: 2-amino-5-(4-aminophenyl)sulfonylbenzenesulfonate; tripentylammonium IUPAC Name: 2-amino-5-(4-aminophenyl)sulfonylbenzenesulfonate; tripentylazanium Traditional Name: 2-amino-5-sulfanilyl-besylate; triamylammonium Formula: C27H45N3O5S2 MolecularWeight: 555.7933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CCCCC.C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)CCCCC.C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C15H33N.C12H12N2O5S2/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;13-8-1-3-9(4-2-8)20(15,16)10-5-6-11(14)12(7-10)21(17,18)19/h4-15H2,1-3H3;1-7H,13-14H2,(H,17,18,19)