[3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-methylbenzenesulfonate

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-methylbenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(SN3)NC(=O)OC

InChI

InChI=1S/C16H15N3O5S2/c1-10-4-3-5-12(8-10)26(21,22)24-11-6-7-13-14(9-11)19-25-15(17-13)18-16(20)23-2/h3-9,19H,1-2H3,(H,17,18,20)