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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C20H19ClFN3O3S2 MolecularWeight: 467.964563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C20H19ClFN3O3S2/c21-15-7-5-13(11-18(15)30(27,28)25-9-3-1-2-4-10-25)19(26)24-20-23-16-8-6-14(22)12-17(16)29-20/h5-8,11-12H,1-4,9-10H2,(H,23,24,26)