N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-1-methyl-benzotriazole-4-sulfonamide

Systemtic Name: N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-1-methyl-benzotriazole-4-sulfonamide Openeye Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-1-methyl-benzotriazole-4-sulfonamide CAS Name: N-[5-bromo-2-[oxo(1-piperidinyl)methyl]phenyl]-1-methyl-4-benzotriazolesulfonamide IUPAC Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-1-methylbenzotriazole-4-sulfonamide Traditional Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-1-methyl-benzotriazole-4-sulfonamide Formula: C19H20BrN5O3S MolecularWeight: 478.3628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Br)C(=O)N4CCCCC4)N=N1

Isomeric SMILES

CN1C2=C(C(=CC=C2)S(=O)(=O)NC3=C(C=CC(=C3)Br)C(=O)N4CCCCC4)N=N1

InChI

InChI=1S/C19H20BrN5O3S/c1-24-16-6-5-7-17(18(16)21-23-24)29(27,28)22-15-12-13(20)8-9-14(15)19(26)25-10-3-2-4-11-25/h5-9,12,22H,2-4,10-11H2,1H3