2-[(4-butylphenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(4-butylphenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-4-butyl-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-4-butylanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-4-butylanilino]propanoic acid Traditional Name: 2-(N-besyl-4-butyl-anilino)propionic acid Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO4S/c1-3-4-8-16-11-13-17(14-12-16)20(15(2)19(21)22)25(23,24)18-9-6-5-7-10-18/h5-7,9-15H,3-4,8H2,1-2H3,(H,21,22)