[3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-chloranyl-3-methyl-benzenesulfonate

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-chloranyl-3-methyl-benzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-chloro-3-methyl-benzenesulfonate CAS Name: 4-chloro-3-methylbenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-chloro-3-methylbenzenesulfonate Traditional Name: 4-chloro-3-methyl-benzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C16H14ClN3O5S2 MolecularWeight: 427.88246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O5S2/c1-9-7-11(4-5-12(9)17)27(22,23)25-10-3-6-13-14(8-10)20-26-15(18-13)19-16(21)24-2/h3-8,20H,1-2H3,(H,18,19,21)