N-[6-(azepan-1-ylcarbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[6-(azepan-1-ylcarbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[6-(azepane-1-carbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[6-[1-azepanyl(oxo)methyl]-1,3-benzothiazol-2-yl]-4-methoxybenzenesulfonamide IUPAC Name: N-[6-(azepane-1-carbonyl)-1,3-benzothiazol-2-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[6-(azepane-1-carbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O4S2/c1-28-16-7-9-17(10-8-16)30(26,27)23-21-22-18-11-6-15(14-19(18)29-21)20(25)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,22,23)