3-[(4-azanyl-2-chloranyl-phenyl)sulfonylamino]benzenesulfonic acid; methane

Systemtic Name: 3-[(4-azanyl-2-chloranyl-phenyl)sulfonylamino]benzenesulfonic acid; methane Openeye Name: 3-[(4-amino-2-chloro-phenyl)sulfonylamino]benzenesulfonic acid; methane CAS Name: 3-[(4-amino-2-chlorophenyl)sulfonylamino]benzenesulfonic acid; methane IUPAC Name: 3-[(4-amino-2-chlorophenyl)sulfonylamino]benzenesulfonic acid; methane Traditional Name: 3-[(4-amino-2-chloro-phenyl)sulfonylamino]besylic acid; methane Formula: C13H15ClN2O5S2 MolecularWeight: 378.8516

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC(=C1)S(=O)(=O)O)NS(=O)(=O)C2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C.C1=CC(=CC(=C1)S(=O)(=O)O)NS(=O)(=O)C2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C12H11ClN2O5S2.CH4/c13-11-6-8(14)4-5-12(11)21(16,17)15-9-2-1-3-10(7-9)22(18,19)20;/h1-7,15H,14H2,(H,18,19,20);1H4