(phenylmethyl) 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxylate Openeye Name: benzyl 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxylic acid benzyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-16-14-17(2)19(4)21(18(16)3)29(26,27)24-12-10-23(11-13-24)22(25)28-15-20-8-6-5-7-9-20/h5-9,14H,10-13,15H2,1-4H3