ethyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H16ClN3O6S3 MolecularWeight: 489.97344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O6S3/c1-2-27-16(22)10-21-14-8-7-13(29(19,23)24)9-15(14)28-17(21)20-30(25,26)12-5-3-11(18)4-6-12/h3-9H,2,10H2,1H3,(H2,19,23,24)/b20-17-