N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxamide

Systemtic Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxamide Openeye Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-dioxo-isoindolin-2-ium-2-carboxamide CAS Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxo-2-isoindol-2-iumcarboxamide IUPAC Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-2-ium-2-carboxamide Traditional Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-1,3-diketo-isoindolin-2-ium-2-carboxamide Formula: C24H27N2O7S+ MolecularWeight: 487.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CC4)OC

InChI

InChI=1S/C24H26N2O7S/c1-4-33-21-13-15(9-12-20(21)32-2)19(14-34(3,30)31)26(24(29)25-16-10-11-16)22(27)17-7-5-6-8-18(17)23(26)28/h5-9,12-13,16,19H,4,10-11,14H2,1-3H3/p+1/t19-/m1/s1