2-[4-(methylsulfonylaminomethyl)phenyl]pent-4-enoic acid

Systemtic Name: 2-[4-(methylsulfonylaminomethyl)phenyl]pent-4-enoic acid Openeye Name: 2-[4-(methanesulfonamidomethyl)phenyl]pent-4-enoic acid CAS Name: 2-[4-(methanesulfonamidomethyl)phenyl]-4-pentenoic acid IUPAC Name: 2-[4-(methanesulfonamidomethyl)phenyl]pent-4-enoic acid Traditional Name: 2-[4-(methanesulfonamidomethyl)phenyl]pent-4-enoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC=C(C=C1)C(CC=C)C(=O)O

Isomeric SMILES

CS(=O)(=O)NCC1=CC=C(C=C1)C(CC=C)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-3-4-12(13(15)16)11-7-5-10(6-8-11)9-14-19(2,17)18/h3,5-8,12,14H,1,4,9H2,2H3,(H,15,16)