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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-15-13-19-20(14-16(15)2)29-22(23-19)24-21(26)17-7-9-18(10-8-17)30(27,28)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,24,26)