(4-azanyl-3-propanoyl-phenyl)methanesulfonic acid

Systemtic Name: (4-azanyl-3-propanoyl-phenyl)methanesulfonic acid Openeye Name: (4-amino-3-propanoyl-phenyl)methanesulfonic acid CAS Name: [4-amino-3-(1-oxopropyl)phenyl]methanesulfonic acid IUPAC Name: (4-amino-3-propanoylphenyl)methanesulfonic acid Traditional Name: (4-amino-3-propionyl-phenyl)methanesulfonic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S/c1-2-10(12)8-5-7(3-4-9(8)11)6-16(13,14)15/h3-5H,2,6,11H2,1H3,(H,13,14,15)