(E)-azanyl-[2-(3-methoxyphenyl)ethanoyl]-[(2-phenoxysulfonyl-5-propan-2-yloxy-phenyl)methylidene]azanium

Systemtic Name: (E)-azanyl-[2-(3-methoxyphenyl)ethanoyl]-[(2-phenoxysulfonyl-5-propan-2-yloxy-phenyl)methylidene]azanium Openeye Name: (E)-amino-[(5-isopropoxy-2-phenoxysulfonyl-phenyl)methylene]-[2-(3-methoxyphenyl)acetyl]ammonium CAS Name: (E)-amino-[2-(3-methoxyphenyl)-1-oxoethyl]-[(2-phenoxysulfonyl-5-propan-2-yloxyphenyl)methylidene]ammonium IUPAC Name: (E)-amino-[2-(3-methoxyphenyl)acetyl]-[(2-phenoxysulfonyl-5-propan-2-yloxyphenyl)methylidene]azanium Traditional Name: (E)-amino-(5-isopropoxy-2-phenoxysulfonyl-benzylidene)-[2-(3-methoxyphenyl)acetyl]ammonium Formula: C25H27N2O6S+ MolecularWeight: 483.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)C=[N+](C(=O)CC3=CC(=CC=C3)OC)N

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)/C=[N+](\C(=O)CC3=CC(=CC=C3)OC)/N

InChI

InChI=1S/C25H27N2O6S/c1-18(2)32-23-12-13-24(34(29,30)33-21-9-5-4-6-10-21)20(16-23)17-27(26)25(28)15-19-8-7-11-22(14-19)31-3/h4-14,16-18H,15,26H2,1-3H3/q+1/b27-17+