3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H27N3O4S2/c1-28-17-11-10-15(14-19(17)30(26,27)24-12-6-2-3-7-13-24)20(25)23-21-22-16-8-4-5-9-18(16)29-21/h10-11,14H,2-9,12-13H2,1H3,(H,22,23,25)