2,3-bis(azanyl)-2-(4-butoxyphenyl)sulfonyl-propanoic acid

Systemtic Name: 2,3-bis(azanyl)-2-(4-butoxyphenyl)sulfonyl-propanoic acid Openeye Name: 2,3-diamino-2-(4-butoxyphenyl)sulfonyl-propanoic acid CAS Name: 2,3-diamino-2-(4-butoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2,3-diamino-2-(4-butoxyphenyl)sulfonylpropanoic acid Traditional Name: 2,3-diamino-2-(4-butoxyphenyl)sulfonyl-propionic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(CN)(C(=O)O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(CN)(C(=O)O)N

InChI

InChI=1S/C13H20N2O5S/c1-2-3-8-20-10-4-6-11(7-5-10)21(18,19)13(15,9-14)12(16)17/h4-7H,2-3,8-9,14-15H2,1H3,(H,16,17)