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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c1-14-12-16(22)13-18-19(14)23-21(29-18)24-20(26)15-6-8-17(9-7-15)30(27,28)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24,26)