4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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