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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(propargylsulfamoyl)benzamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)C

InChI

InChI=1S/C19H17N3O3S2/c1-4-8-20-27(24,25)15-7-5-6-14(11-15)18(23)22-19-21-17-13(3)9-12(2)10-16(17)26-19/h1,5-7,9-11,20H,8H2,2-3H3,(H,21,22,23)