[2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonyl-methyl-phenyl-(phenylmethyl)azanium

Systemtic Name: [2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonyl-methyl-phenyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]phenyl]sulfonyl-methyl-phenyl-ammonium CAS Name: [2-[[3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]phenyl]sulfonyl-methyl-phenyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]phenyl]sulfonyl-methyl-phenylazanium Traditional Name: benzyl-[2-[[3-keto-3-(4-methoxyphenyl)propanoyl]amino]phenyl]sulfonyl-methyl-phenyl-ammonium Formula: C30H29N2O5S+ MolecularWeight: 529.62666

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC1=CC=CC=C1)(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3NC(=O)CC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[N+](CC1=CC=CC=C1)(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3NC(=O)CC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H28N2O5S/c1-32(25-13-7-4-8-14-25,22-23-11-5-3-6-12-23)38(35,36)29-16-10-9-15-27(29)31-30(34)21-28(33)24-17-19-26(37-2)20-18-24/h3-20H,21-22H2,1-2H3/p+1