4-(aminomethyl)-3,5-bis(bromanyl)-2-[4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-benzenesulfonamide

Systemtic Name: 4-(aminomethyl)-3,5-bis(bromanyl)-2-[4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-benzenesulfonamide Openeye Name: 4-(aminomethyl)-3,5-dibromo-2-[4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]benzenesulfonamide CAS Name: 4-(aminomethyl)-3,5-dibromo-2-[[4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-(aminomethyl)-3,5-dibromo-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]benzenesulfonamide Traditional Name: 4-(aminomethyl)-3,5-dibromo-2-[4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]benzenesulfonamide Formula: C23H22Br2N2O5S MolecularWeight: 598.30418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)C3=C(C(=C(C=C3S(=O)(=O)N)Br)CN)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)C3=C(C(=C(C=C3S(=O)(=O)N)Br)CN)Br)O

InChI

InChI=1S/C23H22Br2N2O5S/c1-12(2)16-9-15(7-8-19(16)28)32-14-5-3-13(4-6-14)23(29)21-20(33(27,30)31)10-18(24)17(11-26)22(21)25/h3-10,12,28H,11,26H2,1-2H3,(H2,27,30,31)