2-[3-[1-azanyl-2-(4-butylphenyl)-1-propylsulfonyl-ethyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-azanyl-2-(4-butylphenyl)-1-propylsulfonyl-ethyl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-amino-2-(4-butylphenyl)-1-propylsulfonyl-ethyl]phenyl]acetic acid CAS Name: 2-[3-[1-amino-2-(4-butylphenyl)-1-propylsulfonylethyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-amino-2-(4-butylphenyl)-1-propylsulfonylethyl]phenyl]acetic acid Traditional Name: 2-[3-[1-amino-2-(4-butylphenyl)-1-propylsulfonyl-ethyl]phenyl]acetic acid Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-3-5-7-18-10-12-19(13-11-18)17-23(24,29(27,28)14-4-2)21-9-6-8-20(15-21)16-22(25)26/h6,8-13,15H,3-5,7,14,16-17,24H2,1-2H3,(H,25,26)