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

Systemtic Name: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] naphthalene-1-sulfonate Openeye Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl] ester IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) naphthalene-1-sulfonate Traditional Name: naphthalene-1-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=CC=CC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4

InChI

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