tert-butyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O5S/c1-22(2,3)30-21(27)25-12-7-10-19(25)20(26)23-13-15-24(16-14-23)31(28,29)17-11-18-8-5-4-6-9-18/h4-6,8-9,11,17,19H,7,10,12-16H2,1-3H3/b17-11+