4-[(4-aminophenyl)sulfonyl-ethyl-amino]benzenesulfonic acid; methane

Systemtic Name: 4-[(4-aminophenyl)sulfonyl-ethyl-amino]benzenesulfonic acid; methane Openeye Name: 4-[(4-aminophenyl)sulfonyl-ethyl-amino]benzenesulfonic acid; methane CAS Name: 4-[(4-aminophenyl)sulfonyl-ethylamino]benzenesulfonic acid; methane IUPAC Name: 4-[(4-aminophenyl)sulfonyl-ethylamino]benzenesulfonic acid; methane Traditional Name: 4-[ethyl(sulfanilyl)amino]besylic acid; methane Formula: C15H20N2O5S2 MolecularWeight: 372.4597

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Descriptors Computed from Structure

Canonical SMILES:

C.CCN(C1=CC=C(C=C1)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C.CCN(C1=CC=C(C=C1)S(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H16N2O5S2.CH4/c1-2-16(12-5-9-14(10-6-12)23(19,20)21)22(17,18)13-7-3-11(15)4-8-13;/h3-10H,2,15H2,1H3,(H,19,20,21);1H4