3-[3-[3-(3-chlorophenyl)propyl-ethylsulfonyl-amino]propyl]benzoic acid

Systemtic Name: 3-[3-[3-(3-chlorophenyl)propyl-ethylsulfonyl-amino]propyl]benzoic acid Openeye Name: 3-[3-[3-(3-chlorophenyl)propyl-ethylsulfonyl-amino]propyl]benzoic acid CAS Name: 3-[3-[3-(3-chlorophenyl)propyl-ethylsulfonylamino]propyl]benzoic acid IUPAC Name: 3-[3-[3-(3-chlorophenyl)propyl-ethylsulfonylamino]propyl]benzoic acid Traditional Name: 3-[3-[3-(3-chlorophenyl)propyl-esyl-amino]propyl]benzoic acid Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)N(CCCC1=CC(=CC=C1)Cl)CCCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H26ClNO4S/c1-2-28(26,27)23(14-6-10-18-8-4-12-20(22)16-18)13-5-9-17-7-3-11-19(15-17)21(24)25/h3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,1H3,(H,24,25)