N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-2-methyl-1,3-benzothiazole-7-sulfonamide

Systemtic Name: N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-2-methyl-1,3-benzothiazole-7-sulfonamide Openeye Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2-methyl-1,3-benzothiazole-7-sulfonamide CAS Name: N-[5-bromo-2-[oxo(1-piperidinyl)methyl]phenyl]-2-methyl-1,3-benzothiazole-7-sulfonamide IUPAC Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2-methyl-1,3-benzothiazole-7-sulfonamide Traditional Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2-methyl-1,3-benzothiazole-7-sulfonamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Br)C(=O)N4CCCCC4

Isomeric SMILES

CC1=NC2=C(S1)C(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Br)C(=O)N4CCCCC4

InChI

InChI=1S/C20H20BrN3O3S2/c1-13-22-16-6-5-7-18(19(16)28-13)29(26,27)23-17-12-14(21)8-9-15(17)20(25)24-10-3-2-4-11-24/h5-9,12,23H,2-4,10-11H2,1H3