ethyl 4-[1,4-bis(oxidanylidene)-3-pyrrolidin-1-yl-naphthalen-2-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1,4-bis(oxidanylidene)-3-pyrrolidin-1-yl-naphthalen-2-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(1,4-dioxo-3-pyrrolidin-1-yl-2-naphthyl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[1,4-dioxo-3-(1-pyrrolidinyl)-2-naphthalenyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-[(1,4-diketo-3-pyrrolidino-2-naphthyl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

InChI

InChI=1S/C21H25N3O6S/c1-2-30-21(27)23-11-13-24(14-12-23)31(28,29)20-17(22-9-5-6-10-22)18(25)15-7-3-4-8-16(15)19(20)26/h3-4,7-8H,2,5-6,9-14H2,1H3