[2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] naphthalene-2-sulfonate

Systemtic Name: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] naphthalene-2-sulfonate Openeye Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl] ester IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid (3-benzyl-2,5-diketo-pyrrolidino) ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C21H17NO5S/c23-20-14-18(12-15-6-2-1-3-7-15)21(24)22(20)27-28(25,26)19-11-10-16-8-4-5-9-17(16)13-19/h1-11,13,18H,12,14H2