[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid phthalimidomethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20N2O7S/c1-29-17-9-8-14(12-18(17)31(27,28)22-10-4-5-11-22)21(26)30-13-23-19(24)15-6-2-3-7-16(15)20(23)25/h2-3,6-9,12H,4-5,10-11,13H2,1H3