1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylaziridine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylaziridine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonylaziridine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-2-aziridinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonylaziridine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonylethylenimine-2-carboxylic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC2C(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC2C(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C24H28N2O6S/c1-16-14-19(33(31,32)26-15-22(26)24(29)30)9-11-20(16)21(23(27)28)10-6-17-4-7-18(8-5-17)25-12-2-3-13-25/h4-5,7-9,11,14,21-22H,2-3,6,10,12-13,15H2,1H3,(H,27,28)(H,29,30)