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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(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(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

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

InChI

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