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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H22ClN3O4S2/c1-29-15-7-9-17-18(13-15)30-21(23-17)24-20(26)14-6-8-16(22)19(12-14)31(27,28)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24,26)