1-azanyl-3-(2,6-diethylphenyl)-3-methoxy-2-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 1-azanyl-3-(2,6-diethylphenyl)-3-methoxy-2-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-amino-3-(2,6-diethylphenyl)-3-methoxy-2-oxo-propane-1-sulfonic acid CAS Name: 1-amino-3-(2,6-diethylphenyl)-3-methoxy-2-oxo-1-propanesulfonic acid IUPAC Name: 1-amino-3-(2,6-diethylphenyl)-3-methoxy-2-oxopropane-1-sulfonic acid Traditional Name: 1-amino-3-(2,6-diethylphenyl)-2-keto-3-methoxy-propane-1-sulfonic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C(C(=O)C(N)S(=O)(=O)O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C(C(=O)C(N)S(=O)(=O)O)OC

InChI

InChI=1S/C14H21NO5S/c1-4-9-7-6-8-10(5-2)11(9)13(20-3)12(16)14(15)21(17,18)19/h6-8,13-14H,4-5,15H2,1-3H3,(H,17,18,19)