(2S)-2-azanyl-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid Openeye Name: (2S)-2-amino-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid CAS Name: (2S)-2-amino-3-(4-sulfonyl-1-cyclohexa-1,5-dienyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propanoic acid Traditional Name: (2S)-2-amino-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propionic acid Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=S(=O)=O)CC(C(=O)O)N

Isomeric SMILES

C1C=C(C=CC1=S(=O)=O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H11NO4S/c10-8(9(11)12)5-6-1-3-7(4-2-6)15(13)14/h1-3,8H,4-5,10H2,(H,11,12)/t8-/m0/s1