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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

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