2-[5-[4-azanyl-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[4-azanyl-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-amino-2-(mesylmethyl)phenoxy]pentyl]isoindoline-1,3-quinone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)CC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H24N2O5S/c1-29(26,27)14-15-13-16(22)9-10-19(15)28-12-6-2-5-11-23-20(24)17-7-3-4-8-18(17)21(23)25/h3-4,7-10,13H,2,5-6,11-12,14,22H2,1H3