5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C22H25N3O4S2/c1-15-23-19-9-7-16(13-21(19)30-15)24-22(26)18-14-17(8-10-20(18)29-2)31(27,28)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,26)