3-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-31(26,27)16-9-10-18-19(14-16)30-21(22-18)23-20(25)15-7-6-8-17(13-15)32(28,29)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,23,25)