ethyl 4-[4-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-oxidanylidene-pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-oxidanylidene-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4-methylsulfonylpiperazine-1-carbonyl)-2-oxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-2-oxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylsulfonylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzoate Traditional Name: 4-[2-keto-4-(4-mesylpiperazine-1-carbonyl)pyrrolidino]benzoic acid ethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O6S/c1-3-28-19(25)14-4-6-16(7-5-14)22-13-15(12-17(22)23)18(24)20-8-10-21(11-9-20)29(2,26)27/h4-7,15H,3,8-13H2,1-2H3