N-[[4-(3-bromanyl-5-methoxy-phenyl)piperazin-2-yl]methyl]-4-imidazol-1-yl-benzenesulfonamide

Systemtic Name: N-[[4-(3-bromanyl-5-methoxy-phenyl)piperazin-2-yl]methyl]-4-imidazol-1-yl-benzenesulfonamide Openeye Name: N-[[4-(3-bromo-5-methoxy-phenyl)piperazin-2-yl]methyl]-4-imidazol-1-yl-benzenesulfonamide CAS Name: N-[[4-(3-bromo-5-methoxyphenyl)-2-piperazinyl]methyl]-4-(1-imidazolyl)benzenesulfonamide IUPAC Name: N-[[4-(3-bromo-5-methoxyphenyl)piperazin-2-yl]methyl]-4-imidazol-1-ylbenzenesulfonamide Traditional Name: N-[[4-(3-bromo-5-methoxy-phenyl)piperazin-2-yl]methyl]-4-imidazol-1-yl-benzenesulfonamide Formula: C21H24BrN5O3S MolecularWeight: 506.41596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCNC(C2)CNS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4)Br

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCNC(C2)CNS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4)Br

InChI

InChI=1S/C21H24BrN5O3S/c1-30-20-11-16(22)10-19(12-20)26-9-7-24-17(14-26)13-25-31(28,29)21-4-2-18(3-5-21)27-8-6-23-15-27/h2-6,8,10-12,15,17,24-25H,7,9,13-14H2,1H3