3-ethylbenzenecarbonitrile; 3-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-ethylbenzenecarbonitrile; 3-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-ethylbenzonitrile; 3-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-ethylbenzonitrile; 3-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-ethylbenzonitrile; 3-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-ethylbenzonitrile; 3-(tosylamino)propionic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C#N.CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CCC1=CC=CC(=C1)C#N.CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C10H13NO4S.C9H9N/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13;1-2-8-4-3-5-9(6-8)7-10/h2-5,11H,6-7H2,1H3,(H,12,13);3-6H,2H2,1H3