(E)-5-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]pent-3-enoic acid

Systemtic Name: (E)-5-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]pent-3-enoic acid Openeye Name: (E)-5-(1-benzylsulfonylpyrrolidin-2-yl)pent-3-enoic acid CAS Name: (E)-5-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]-3-pentenoic acid IUPAC Name: (E)-5-(1-benzylsulfonylpyrrolidin-2-yl)pent-3-enoic acid Traditional Name: (E)-5-(1-benzylsulfonylpyrrolidin-2-yl)pent-3-enoic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c18-16(19)11-5-4-9-15-10-6-12-17(15)22(20,21)13-14-7-2-1-3-8-14/h1-5,7-8,15H,6,9-13H2,(H,18,19)/b5-4+