O1-azanyl O3-tert-butyl 2-[[4-(4-chlorophenyl)phenyl]methyl]-2-piperazin-1-ylsulfonyl-propanedioate

Systemtic Name: O1-azanyl O3-tert-butyl 2-[[4-(4-chlorophenyl)phenyl]methyl]-2-piperazin-1-ylsulfonyl-propanedioate Openeye Name: O1-amino O3-tert-butyl 2-[[4-(4-chlorophenyl)phenyl]methyl]-2-piperazin-1-ylsulfonyl-propanedioate CAS Name: 2-[[4-(4-chlorophenyl)phenyl]methyl]-2-(1-piperazinylsulfonyl)propanedioic acid O1-amino ester O3-tert-butyl ester IUPAC Name: 1-O-amino 3-O-tert-butyl 2-[[4-(4-chlorophenyl)phenyl]methyl]-2-piperazin-1-ylsulfonylpropanedioate Traditional Name: 2-[4-(4-chlorophenyl)benzyl]-2-piperazinosulfonyl-malonic acid O1-amino ester O3-tert-butyl ester Formula: C24H30ClN3O6S MolecularWeight: 524.0295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)Cl)(C(=O)ON)S(=O)(=O)N3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)Cl)(C(=O)ON)S(=O)(=O)N3CCNCC3

InChI

InChI=1S/C24H30ClN3O6S/c1-23(2,3)33-21(29)24(22(30)34-26,35(31,32)28-14-12-27-13-15-28)16-17-4-6-18(7-5-17)19-8-10-20(25)11-9-19/h4-11,27H,12-16,26H2,1-3H3