[3-[5-carboxy-4-[(2-methylphenyl)sulfonylamino]thiophen-2-yl]phenyl]-oxidanylidene-azanium

Systemtic Name: [3-[5-carboxy-4-[(2-methylphenyl)sulfonylamino]thiophen-2-yl]phenyl]-oxidanylidene-azanium Openeye Name: [3-[5-carboxy-4-(o-tolylsulfonylamino)-2-thienyl]phenyl]-oxo-ammonium CAS Name: [3-[5-carboxy-4-[(2-methylphenyl)sulfonylamino]-2-thiophenyl]phenyl]-oxoammonium IUPAC Name: [3-[5-carboxy-4-[(2-methylphenyl)sulfonylamino]thiophen-2-yl]phenyl]-oxoazanium Traditional Name: [3-[5-carboxy-4-(o-tolylsulfonylamino)-2-thienyl]phenyl]-keto-ammonium Formula: C18H15N2O5S2+ MolecularWeight: 403.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[NH+]=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[NH+]=O)C(=O)O

InChI

InChI=1S/C18H14N2O5S2/c1-11-5-2-3-8-16(11)27(24,25)20-14-10-15(26-17(14)18(21)22)12-6-4-7-13(9-12)19-23/h2-10,20H,1H3,(H,21,22)/p+1