2-[but-3-enyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[but-3-enyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[but-3-enyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[but-3-enyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[but-3-enyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[but-3-enyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C16H23NO5S MolecularWeight: 341.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CCC=C)S(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CCC=C)S(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C16H23NO5S/c1-5-6-11-17(15(12(2)3)16(18)19)23(20,21)14-9-7-13(22-4)8-10-14/h5,7-10,12,15H,1,6,11H2,2-4H3,(H,18,19)