methyl 2-[(2Z)-2-(phenylsulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(phenylsulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H15N3O6S3 MolecularWeight: 441.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)S(=O)(=O)N)S/C1=N\S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O6S3/c1-25-15(20)10-19-13-8-7-12(27(17,21)22)9-14(13)26-16(19)18-28(23,24)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,21,22)/b18-16-