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

Systemtic Name: (E)-azanyl-[2-(3-methoxyphenyl)ethanoyl]-[(2-phenoxysulfonyl-5-propyl-phenyl)methylidene]azanium Openeye Name: (E)-amino-[2-(3-methoxyphenyl)acetyl]-[(2-phenoxysulfonyl-5-propyl-phenyl)methylene]ammonium CAS Name: (E)-amino-[2-(3-methoxyphenyl)-1-oxoethyl]-[(2-phenoxysulfonyl-5-propylphenyl)methylidene]ammonium IUPAC Name: (E)-amino-[2-(3-methoxyphenyl)acetyl]-[(2-phenoxysulfonyl-5-propylphenyl)methylidene]azanium Traditional Name: (E)-amino-[2-(3-methoxyphenyl)acetyl]-(2-phenoxysulfonyl-5-propyl-benzylidene)ammonium Formula: C25H27N2O5S+ MolecularWeight: 467.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)C=[N+](C(=O)CC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCCC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)/C=[N+](\C(=O)CC3=CC(=CC=C3)OC)/N

InChI

InChI=1S/C25H27N2O5S/c1-3-8-19-13-14-24(33(29,30)32-22-10-5-4-6-11-22)21(15-19)18-27(26)25(28)17-20-9-7-12-23(16-20)31-2/h4-7,9-16,18H,3,8,17,26H2,1-2H3/q+1/b27-18+