N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propargylsulfamoyl)benzamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C18H15N3O4S2/c1-3-10-19-27(23,24)14-7-4-12(5-8-14)17(22)21-18-20-15-9-6-13(25-2)11-16(15)26-18/h1,4-9,11,19H,10H2,2H3,(H,20,21,22)