4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4-keto-butyric acid Formula: C14H16ClNO5S MolecularWeight: 345.79854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C14H16ClNO5S/c15-11-4-3-10(12(17)5-6-14(18)19)9-13(11)22(20,21)16-7-1-2-8-16/h3-4,9H,1-2,5-8H2,(H,18,19)