4-(azepan-1-ylsulfonyl)-N-(4-chloranyl-1,3-benzothiazol-7-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-chloranyl-1,3-benzothiazol-7-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-chloro-1,3-benzothiazol-7-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-chloro-1,3-benzothiazol-7-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-chloro-1,3-benzothiazol-7-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-chloro-1,3-benzothiazol-7-yl)benzamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)Cl)N=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)Cl)N=CS4

InChI

InChI=1S/C20H20ClN3O3S2/c21-16-9-10-17(19-18(16)22-13-28-19)23-20(25)14-5-7-15(8-6-14)29(26,27)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H,23,25)