3-(benzotriazol-2-yl)-N-(2-bromoethyl)-5-butan-2-yl-4-oxidanyl-benzenesulfonamide

Systemtic Name: 3-(benzotriazol-2-yl)-N-(2-bromoethyl)-5-butan-2-yl-4-oxidanyl-benzenesulfonamide Openeye Name: 3-(benzotriazol-2-yl)-N-(2-bromoethyl)-4-hydroxy-5-sec-butyl-benzenesulfonamide CAS Name: 3-(2-benzotriazolyl)-N-(2-bromoethyl)-5-butan-2-yl-4-hydroxybenzenesulfonamide IUPAC Name: 3-(benzotriazol-2-yl)-N-(2-bromoethyl)-5-butan-2-yl-4-hydroxybenzenesulfonamide Traditional Name: 3-(benzotriazol-2-yl)-N-(2-bromoethyl)-4-hydroxy-5-sec-butyl-benzenesulfonamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)NCCBr

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)NCCBr

InChI

InChI=1S/C18H21BrN4O3S/c1-3-12(2)14-10-13(27(25,26)20-9-8-19)11-17(18(14)24)23-21-15-6-4-5-7-16(15)22-23/h4-7,10-12,20,24H,3,8-9H2,1-2H3