2-(3-pyrrolidin-1-ylsulfonylphenyl)pent-4-enoic acid

Systemtic Name: 2-(3-pyrrolidin-1-ylsulfonylphenyl)pent-4-enoic acid Openeye Name: 2-(3-pyrrolidin-1-ylsulfonylphenyl)pent-4-enoic acid CAS Name: 2-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-pentenoic acid IUPAC Name: 2-(3-pyrrolidin-1-ylsulfonylphenyl)pent-4-enoic acid Traditional Name: 2-(3-pyrrolidinosulfonylphenyl)pent-4-enoic acid Formula: C15H19NO4S MolecularWeight: 309.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C(=O)O

Isomeric SMILES

C=CCC(C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-2-6-14(15(17)18)12-7-5-8-13(11-12)21(19,20)16-9-3-4-10-16/h2,5,7-8,11,14H,1,3-4,6,9-10H2,(H,17,18)