2-(4-propan-2-ylsulfonylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-propan-2-ylsulfonylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(4-propan-2-ylsulfonylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-propan-2-ylsulfonylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S3/c1-4-11-24-18-10-9-17(32(22,28)29)13-19(18)30-21(24)23-20(25)12-15-5-7-16(8-6-15)31(26,27)14(2)3/h1,5-10,13-14H,11-12H2,2-3H3,(H2,22,28,29)