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

Systemtic Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxidanylidene-1H-isoindol-2-ium-2-carboxamide Openeye Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1-oxo-isoindolin-2-ium-2-carboxamide CAS Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-2-ium-2-carboxamide IUPAC Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-2-ium-2-carboxamide Traditional Name: N-cyclopropyl-2-[(1S)-1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-1-keto-isoindolin-2-ium-2-carboxamide Formula: C24H29N2O6S+ MolecularWeight: 473.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)[N+]2(CC3=CC=CC=C3C2=O)C(=O)NC4CC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)[N+]2(CC3=CC=CC=C3C2=O)C(=O)NC4CC4)OC

InChI

InChI=1S/C24H28N2O6S/c1-4-32-22-13-16(9-12-21(22)31-2)20(15-33(3,29)30)26(24(28)25-18-10-11-18)14-17-7-5-6-8-19(17)23(26)27/h5-9,12-13,18,20H,4,10-11,14-15H2,1-3H3/p+1/t20-,26?/m1/s1