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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-butyric acid Formula: C16H21NO5S MolecularWeight: 339.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(C)C)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-5-6-11-22-13-7-9-14(10-8-13)23(20,21)17(4)15(12(2)3)16(18)19/h7-10,12,15H,11H2,1-4H3,(H,18,19)