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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chloro-benzamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c21-15-10-9-14(13-18(15)29(26,27)24-11-5-1-2-6-12-24)19(25)23-20-22-16-7-3-4-8-17(16)28-20/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,23,25)