3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C20H24ClN3O3S2 MolecularWeight: 454.00586

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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)CCCC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)CCCC4)Cl

InChI

InChI=1S/C20H24ClN3O3S2/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/h9-10,13H,1-8,11-12H2,(H,22,23,25)