(2R)-1-(4-tert-butylphenyl)sulfonyl-4-quinolin-8-ylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-4-quinolin-8-ylsulfonyl-piperazine-2-carboxylic acid Openeye Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-4-(8-quinolylsulfonyl)piperazine-2-carboxylic acid CAS Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-4-(8-quinolinylsulfonyl)-2-piperazinecarboxylic acid IUPAC Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-4-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid Traditional Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-4-(8-quinolylsulfonyl)piperazine-2-carboxylic acid Formula: C24H27N3O6S2 MolecularWeight: 517.61768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H27N3O6S2/c1-24(2,3)18-9-11-19(12-10-18)34(30,31)27-15-14-26(16-20(27)23(28)29)35(32,33)21-8-4-6-17-7-5-13-25-22(17)21/h4-13,20H,14-16H2,1-3H3,(H,28,29)/t20-/m1/s1