3-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-1-phenyl-hexane-1-sulfonic acid

Systemtic Name: 3-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-1-phenyl-hexane-1-sulfonic acid Openeye Name: 3-(5-amino-1,3-dioxo-isoindolin-2-yl)-4-methyl-1-phenyl-hexane-1-sulfonic acid CAS Name: 3-(5-amino-1,3-dioxo-2-isoindolyl)-4-methyl-1-phenyl-1-hexanesulfonic acid IUPAC Name: 3-(5-amino-1,3-dioxoisoindol-2-yl)-4-methyl-1-phenylhexane-1-sulfonic acid Traditional Name: 3-(5-amino-1,3-diketo-isoindolin-2-yl)-4-methyl-1-phenyl-hexane-1-sulfonic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-3-13(2)18(12-19(29(26,27)28)14-7-5-4-6-8-14)23-20(24)16-10-9-15(22)11-17(16)21(23)25/h4-11,13,18-19H,3,12,22H2,1-2H3,(H,26,27,28)