3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24ClN3O4S2/c1-2-30-16-8-10-18-19(14-16)31-22(24-18)25-21(27)15-7-9-17(23)20(13-15)32(28,29)26-11-5-3-4-6-12-26/h7-10,13-14H,2-6,11-12H2,1H3,(H,24,25,27)