3-azanyl-2-[[4-(sulfoamino)phenyl]methylamino]benzenesulfonic acid

Systemtic Name: 3-azanyl-2-[[4-(sulfoamino)phenyl]methylamino]benzenesulfonic acid Openeye Name: 3-amino-2-[[4-(sulfoamino)phenyl]methylamino]benzenesulfonic acid CAS Name: 3-amino-2-[[4-(sulfoamino)phenyl]methylamino]benzenesulfonic acid IUPAC Name: 3-amino-2-[[4-(sulfoamino)phenyl]methylamino]benzenesulfonic acid Traditional Name: 3-amino-2-[[4-(sulfoamino)benzyl]amino]besylic acid Formula: C13H15N3O6S2 MolecularWeight: 373.4047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)NCC2=CC=C(C=C2)NS(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)NCC2=CC=C(C=C2)NS(=O)(=O)O)N

InChI

InChI=1S/C13H15N3O6S2/c14-11-2-1-3-12(23(17,18)19)13(11)15-8-9-4-6-10(7-5-9)16-24(20,21)22/h1-7,15-16H,8,14H2,(H,17,18,19)(H,20,21,22)