N-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[1-(azepane-1-carbonyl)-2-methyl-propyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[1-(azepane-1-carbonyl)-2-methyl-propyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N3O3S2/c1-13(2)18(19(23)22-10-6-4-5-7-11-22)21-27(24,25)15-8-9-16-17(12-15)26-14(3)20-16/h8-9,12-13,18,21H,4-7,10-11H2,1-3H3