(E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-dodecyl-pyrrolidin-2-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-dodecyl-pyrrolidin-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-dodecyl-pyrrolidin-2-yl]hex-5-enoic acid CAS Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-dodecyl-2-pyrrolidinyl]-5-hexenoic acid IUPAC Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-dodecylpyrrolidin-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-lauryl-pyrrolidin-2-yl]hex-5-enoic acid Formula: C28H45ClN2O4S MolecularWeight: 541.1859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CC(CC1C=CCCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCN1CC(CC1/C=C/CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C28H45ClN2O4S/c1-2-3-4-5-6-7-8-9-10-14-21-31-23-25(22-26(31)15-12-11-13-16-28(32)33)30-36(34,35)27-19-17-24(29)18-20-27/h12,15,17-20,25-26,30H,2-11,13-14,16,21-23H2,1H3,(H,32,33)/b15-12+