(E)-6-[4-(phenylsulfonylamino)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[4-(phenylsulfonylamino)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[4-(benzenesulfonamido)-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoic acid CAS Name: (E)-6-[4-(benzenesulfonamido)-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-5-hexenoic acid IUPAC Name: (E)-6-[4-(benzenesulfonamido)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[4-(benzenesulfonamido)-1-(3-pyridylmethyl)pyrrolidin-2-yl]hex-5-enoic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C=CCCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CN(C1/C=C/CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c26-22(27)12-6-1-3-9-20-14-19(17-25(20)16-18-8-7-13-23-15-18)24-30(28,29)21-10-4-2-5-11-21/h2-5,7-11,13,15,19-20,24H,1,6,12,14,16-17H2,(H,26,27)/b9-3+