4-[(4-methylphenyl)sulfonyl-octyl-amino]benzoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-octyl-amino]benzoic acid Openeye Name: 4-[octyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[(4-methylphenyl)sulfonyl-octylamino]benzoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonyl-octylamino]benzoic acid Traditional Name: 4-[octyl(tosyl)amino]benzoic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29NO4S/c1-3-4-5-6-7-8-17-23(20-13-11-19(12-14-20)22(24)25)28(26,27)21-15-9-18(2)10-16-21/h9-16H,3-8,17H2,1-2H3,(H,24,25)