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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-mesyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H25N3O5S3 MolecularWeight: 507.646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O5S3/c1-24-19-12-11-18(32(2,27)28)15-20(19)31-22(24)23-21(26)16-7-9-17(10-8-16)33(29,30)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3