3-[ethylsulfonyl-(4-propan-2-ylphenyl)amino]propanoic acid

Systemtic Name: 3-[ethylsulfonyl-(4-propan-2-ylphenyl)amino]propanoic acid Openeye Name: 3-(N-ethylsulfonyl-4-isopropyl-anilino)propanoic acid CAS Name: 3-(N-ethylsulfonyl-4-propan-2-ylanilino)propanoic acid IUPAC Name: 3-(N-ethylsulfonyl-4-propan-2-ylanilino)propanoic acid Traditional Name: 3-(N-esyl-4-isopropyl-anilino)propionic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-4-20(18,19)15(10-9-14(16)17)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)