4-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CCCC(=O)O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CCCC(=O)O)C

InChI

InChI=1S/C14H21NO5S/c1-4-20-13-8-7-12(10-11(13)2)21(18,19)15(3)9-5-6-14(16)17/h7-8,10H,4-6,9H2,1-3H3,(H,16,17)