4-(2,2-diphenylethanoyl)-1-(4-methylphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(2,2-diphenylethanoyl)-1-(4-methylphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-(2,2-diphenylacetyl)-1-(p-tolylsulfonyl)piperazine-2-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-(1-oxo-2,2-diphenylethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(2,2-diphenylacetyl)-1-(4-methylphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-(2,2-diphenylacetyl)-1-tosyl-piperazine-2-carboxylic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-19-12-14-22(15-13-19)34(32,33)28-17-16-27(18-23(28)26(30)31)25(29)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,30,31)