3-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-sulfonamide

Systemtic Name: 3-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-sulfonamide Openeye Name: 3-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-1,1-dioxo-1,2-benzothiazole-6-sulfonamide CAS Name: 3-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-1,1-dioxo-1,2-benzothiazole-6-sulfonamide IUPAC Name: 3-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-1,1-dioxo-1,2-benzothiazole-6-sulfonamide Traditional Name: 3-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-1,1-diketo-1,2-benzothiazole-6-sulfonamide Formula: C17H19BrN4O4S2 MolecularWeight: 487.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)S(=O)(=O)N)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)S(=O)(=O)N)Br

InChI

InChI=1S/C17H19BrN4O4S2/c1-11-8-12(18)10-21-15(11)4-2-3-7-20-17-14-6-5-13(27(19,23)24)9-16(14)28(25,26)22-17/h5-6,8-10H,2-4,7H2,1H3,(H,20,22)(H2,19,23,24)