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

Systemtic Name: (2Z)-2-(4-methoxyphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide Openeye Name: (2Z)-2-(4-methoxyphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide CAS Name: (2Z)-2-(4-methoxyphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: (2Z)-2-(4-methoxyphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-sulfonamide Traditional Name: (2Z)-2-(4-methoxyphenyl)sulfonylimino-3-propargyl-1,3-benzothiazole-6-sulfonamide Formula: C17H15N3O5S3 MolecularWeight: 437.5131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C17H15N3O5S3/c1-3-10-20-15-9-8-14(27(18,21)22)11-16(15)26-17(20)19-28(23,24)13-6-4-12(25-2)5-7-13/h1,4-9,11H,10H2,2H3,(H2,18,21,22)/b19-17-