(phenylmethyl) 4-[4-(2-oxidanylidenepyrrolidin-1-yl)sulfonylphenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(2-oxidanylidenepyrrolidin-1-yl)sulfonylphenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(2-oxo-1-pyrrolidinyl)sulfonyl]phenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(2-oxopyrrolidin-1-yl)sulfonylphenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-ketopyrrolidino)sulfonylphenyl]piperazine-1-carboxylic acid benzyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c26-21-7-4-12-25(21)31(28,29)20-10-8-19(9-11-20)23-13-15-24(16-14-23)22(27)30-17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2