5-[(3S)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpyrrolidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(3S)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpyrrolidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[(3S)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpyrrolidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[[(3S)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-pyrrolidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[(3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[(3S)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]pyrrolidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C24H34N2O5S2 MolecularWeight: 494.66716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCN(C2)S(=O)(=O)C3=CC=C(N3C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S[C@H]2CCN(C2)S(=O)(=O)C3=CC=C(N3C)C(=O)O

InChI

InChI=1S/C24H34N2O5S2/c1-23(2,3)17-12-16(13-18(21(17)27)24(4,5)6)32-15-10-11-26(14-15)33(30,31)20-9-8-19(22(28)29)25(20)7/h8-9,12-13,15,27H,10-11,14H2,1-7H3,(H,28,29)/t15-/m0/s1