(2S)-2-azanyl-3-(4-methoxyphenyl)propane-1-sulfonic acid

Systemtic Name: (2S)-2-azanyl-3-(4-methoxyphenyl)propane-1-sulfonic acid Openeye Name: (2S)-2-amino-3-(4-methoxyphenyl)propane-1-sulfonic acid CAS Name: (2S)-2-amino-3-(4-methoxyphenyl)-1-propanesulfonic acid IUPAC Name: (2S)-2-amino-3-(4-methoxyphenyl)propane-1-sulfonic acid Traditional Name: (2S)-2-amino-3-(4-methoxyphenyl)propane-1-sulfonic acid Formula: C10H15NO4S MolecularWeight: 245.2954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CS(=O)(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](CS(=O)(=O)O)N

InChI

InChI=1S/C10H15NO4S/c1-15-10-4-2-8(3-5-10)6-9(11)7-16(12,13)14/h2-5,9H,6-7,11H2,1H3,(H,12,13,14)/t9-/m0/s1