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

Systemtic Name: 4-(dimethylamino)-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonyl-4-(dimethylamino)pyrrolidine-2-carboxylic acid CAS Name: 4-(dimethylamino)-1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(dimethylamino)-1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonyl-4-(dimethylamino)proline Formula: C28H37N3O6S MolecularWeight: 543.67488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)N(C)C)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)N(C)C)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C28H37N3O6S/c1-19-16-23(38(36,37)31-18-22(29(2)3)17-26(31)28(34)35)11-13-24(19)25(27(32)33)12-8-20-6-9-21(10-7-20)30-14-4-5-15-30/h6-7,9-11,13,16,22,25-26H,4-5,8,12,14-15,17-18H2,1-3H3,(H,32,33)(H,34,35)