tert-butyl 4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(2-ketopyrrolidino)phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C19H27N3O5S/c1-19(2,3)27-18(24)20-11-13-21(14-12-20)28(25,26)16-8-6-15(7-9-16)22-10-4-5-17(22)23/h6-9H,4-5,10-14H2,1-3H3