2-[4-[1-azanyl-3-(4-butylphenyl)-1-methylsulfonyl-propyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[1-azanyl-3-(4-butylphenyl)-1-methylsulfonyl-propyl]phenyl]ethanoic acid Openeye Name: 2-[4-[1-amino-3-(4-butylphenyl)-1-methylsulfonyl-propyl]phenyl]acetic acid CAS Name: 2-[4-[1-amino-3-(4-butylphenyl)-1-methylsulfonylpropyl]phenyl]acetic acid IUPAC Name: 2-[4-[1-amino-3-(4-butylphenyl)-1-methylsulfonylpropyl]phenyl]acetic acid Traditional Name: 2-[4-[1-amino-3-(4-butylphenyl)-1-mesyl-propyl]phenyl]acetic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-3-4-5-17-6-8-18(9-7-17)14-15-22(23,28(2,26)27)20-12-10-19(11-13-20)16-21(24)25/h6-13H,3-5,14-16,23H2,1-2H3,(H,24,25)