3-(hydroxymethyl)-1-(2-methylphenyl)-5-(2-methylsulfonylethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-1-(2-methylphenyl)-5-(2-methylsulfonylethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(hydroxymethyl)-5-(2-methylsulfonylethyl)-1-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(hydroxymethyl)-1-(2-methylphenyl)-5-(2-methylsulfonylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-1-(2-methylphenyl)-5-(2-methylsulfonylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-(2-mesylethyl)-3-methylol-1-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CCS(=O)(=O)C)C(N2)(CO)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CCS(=O)(=O)C)C(N2)(CO)C(=O)O

InChI

InChI=1S/C18H22N2O7S/c1-10-5-3-4-6-11(10)14-12-13(18(9-21,19-14)17(24)25)16(23)20(15(12)22)7-8-28(2,26)27/h3-6,12-14,19,21H,7-9H2,1-2H3,(H,24,25)