(2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide Openeye Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide CAS Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide Traditional Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-propargyl-1,3-benzothiazole-6-sulfonamide Formula: C16H12ClN3O4S3 MolecularWeight: 441.93218

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN\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/C16H12ClN3O4S3/c1-2-9-20-14-8-7-13(26(18,21)22)10-15(14)25-16(20)19-27(23,24)12-5-3-11(17)4-6-12/h1,3-8,10H,9H2,(H2,18,21,22)/b19-16-