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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C22H25N3O5S2/c1-29-18-13-17-20(14-19(18)30-2)31-22(23-17)24-21(26)15-8-7-9-16(12-15)32(27,28)25-10-5-3-4-6-11-25/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,23,24,26)