[4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] hydrogen sulfate

Systemtic Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] hydrogen sulfate Openeye Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] hydrogen sulfate CAS Name: sulfuric acid [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] hydrogen sulfate Traditional Name: sulfuric acid [4,5,7-trimethyl-2-[(4-sulfamoylbenzyl)amino]-1,3-benzothiazol-6-yl] ester Formula: C17H19N3O6S3 MolecularWeight: 457.54426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)OS(=O)(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)OS(=O)(=O)O)C

InChI

InChI=1S/C17H19N3O6S3/c1-9-10(2)15(26-29(23,24)25)11(3)16-14(9)20-17(27-16)19-8-12-4-6-13(7-5-12)28(18,21)22/h4-7H,8H2,1-3H3,(H,19,20)(H2,18,21,22)(H,23,24,25)