3-[3-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-5-methyl-hexan-3-yl]benzenesulfonic acid

Systemtic Name: 3-[3-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-5-methyl-hexan-3-yl]benzenesulfonic acid Openeye Name: 3-[1-(5-amino-1,3-dioxo-isoindolin-2-yl)-1-ethyl-3-methyl-butyl]benzenesulfonic acid CAS Name: 3-[3-(5-amino-1,3-dioxo-2-isoindolyl)-5-methylhexan-3-yl]benzenesulfonic acid IUPAC Name: 3-[3-(5-amino-1,3-dioxoisoindol-2-yl)-5-methylhexan-3-yl]benzenesulfonic acid Traditional Name: 3-[1-(5-amino-1,3-diketo-isoindolin-2-yl)-1-ethyl-3-methyl-butyl]besylic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C)(C1=CC(=CC=C1)S(=O)(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)N

Isomeric SMILES

CCC(CC(C)C)(C1=CC(=CC=C1)S(=O)(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)N

InChI

InChI=1S/C21H24N2O5S/c1-4-21(12-13(2)3,14-6-5-7-16(10-14)29(26,27)28)23-19(24)17-9-8-15(22)11-18(17)20(23)25/h5-11,13H,4,12,22H2,1-3H3,(H,26,27,28)