(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(phenylsulfonyl)-(1,3-thiazol-5-ylcarbonyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(phenylsulfonyl)-(1,3-thiazol-5-ylcarbonyl)azanium Openeye Name: benzenesulfonyl-[(2-benzyloxy-5-bromo-phenyl)methyl]-(ethylamino)-(thiazole-5-carbonyl)ammonium CAS Name: benzenesulfonyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]-(ethylamino)-[oxo(5-thiazolyl)methyl]ammonium IUPAC Name: benzenesulfonyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]-(ethylamino)-(1,3-thiazole-5-carbonyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-besyl-(ethylamino)-(thiazole-5-carbonyl)ammonium Formula: C26H25BrN3O4S2+ MolecularWeight: 587.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+](CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C(=O)C3=CN=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN[N+](CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C(=O)C3=CN=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25BrN3O4S2/c1-2-29-30(26(31)25-16-28-19-35-25,36(32,33)23-11-7-4-8-12-23)17-21-15-22(27)13-14-24(21)34-18-20-9-5-3-6-10-20/h3-16,19,29H,2,17-18H2,1H3/q+1