5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid Traditional Name: 5-phthalimido-2-(p-phenetylsulfonylamino)valeric acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C21H22N2O7S/c1-2-30-14-9-11-15(12-10-14)31(28,29)22-18(21(26)27)8-5-13-23-19(24)16-6-3-4-7-17(16)20(23)25/h3-4,6-7,9-12,18,22H,2,5,8,13H2,1H3,(H,26,27)