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

Systemtic Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-1-quinolin-8-ylsulfonyl-piperazine-2-carboxylic acid Openeye Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-1-(8-quinolylsulfonyl)piperazine-2-carboxylic acid CAS Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-1-(8-quinolinylsulfonyl)-2-piperazinecarboxylic acid IUPAC Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid Traditional Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-1-(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(C(C2)C(=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@@H](C2)C(=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)26-14-15-27(20(16-26)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-/m0/s1