(E)-5-[1-(4-chlorophenyl)sulfonyl-2-phenyl-pyrrolidin-3-yl]pent-4-enoic acid

Systemtic Name: (E)-5-[1-(4-chlorophenyl)sulfonyl-2-phenyl-pyrrolidin-3-yl]pent-4-enoic acid Openeye Name: (E)-5-[1-(4-chlorophenyl)sulfonyl-2-phenyl-pyrrolidin-3-yl]pent-4-enoic acid CAS Name: (E)-5-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3-pyrrolidinyl]-4-pentenoic acid IUPAC Name: (E)-5-[1-(4-chlorophenyl)sulfonyl-2-phenylpyrrolidin-3-yl]pent-4-enoic acid Traditional Name: (E)-5-[1-(4-chlorophenyl)sulfonyl-2-phenyl-pyrrolidin-3-yl]pent-4-enoic acid Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C=CCCC(=O)O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(C1/C=C/CCC(=O)O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4S/c22-18-10-12-19(13-11-18)28(26,27)23-15-14-17(8-4-5-9-20(24)25)21(23)16-6-2-1-3-7-16/h1-4,6-8,10-13,17,21H,5,9,14-15H2,(H,24,25)/b8-4+