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

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-tert-butylbenzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-19(2,3)12-5-8-14(9-6-12)29(24,25)27-13-7-10-15-16(11-13)22-28-17(20-15)21-18(23)26-4/h5-11,22H,1-4H3,(H,20,21,23)