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

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)methanamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)formamide CAS Name: 1-(1-azepanylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)formamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)formamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)formamide Formula: C15H19N3O5S3 MolecularWeight: 417.52346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C15H19N3O5S3/c1-25(20,21)11-6-7-12-13(10-11)24-14(16-12)17-15(19)26(22,23)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9H2,1H3,(H,16,17,19)