4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C24H25N3O5S3 MolecularWeight: 531.6674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC#C

InChI

InChI=1S/C24H25N3O5S3/c1-3-14-27-21-13-12-20(34(2,29)30)17-22(21)33-24(27)25-23(28)18-8-10-19(11-9-18)35(31,32)26-15-6-4-5-7-16-26/h1,8-13,17H,4-7,14-16H2,2H3