4-[(E)-2-[1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one

Systemtic Name: 4-[(E)-2-[1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one Openeye Name: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl]vinyl]-2-methyl-3-phenyl-isoxazol-5-one CAS Name: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-2-indol-1-iumyl]ethenyl]-2-methyl-3-phenyl-5-isoxazolone IUPAC Name: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one Traditional Name: 4-[(E)-2-(5-besyl-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]-2-methyl-3-phenyl-3-isoxazolin-5-one Formula: C30H29N2O4S+ MolecularWeight: 513.62726

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C=CC4=C(N(OC4=O)C)C5=CC=CC=C5

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)/C=C/C4=C(N(OC4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C30H29N2O4S/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21/h6-20H,5H2,1-4H3/q+1