2-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]ethanoic acid

Systemtic Name: 2-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]ethanoic acid Openeye Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)acetic acid CAS Name: 2-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]acetic acid IUPAC Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)acetic acid Traditional Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C13H17NO4S/c15-13(16)9-12-7-4-8-14(12)19(17,18)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)