1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(3-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C17H19N4O3S2+ MolecularWeight: 391.48776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O3S2/c1-21(11-17-20-14-7-2-3-8-15(14)25-17)10-16(22)19-12-5-4-6-13(9-12)26(18,23)24/h2-9H,10-11H2,1H3,(H,19,22)(H2,18,23,24)/p+1