[4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(2-methyl-1,3-benzothiazol-6-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]phenyl] ester Formula: C21H15N3O6S2 MolecularWeight: 469.4903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6S2/c1-13-22-19-10-7-15(11-20(19)31-13)23-21(25)14-5-8-17(9-6-14)30-32(28,29)18-4-2-3-16(12-18)24(26)27/h2-12H,1H3,(H,23,25)