4-[2-[2-[(4-chlorophenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[(4-chlorophenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(4-chlorophenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(4-chlorophenyl)sulfonyl-heptylamino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(4-chlorophenyl)sulfonyl-heptylamino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(4-chlorophenyl)sulfonyl-heptyl-amino]phenyl]ethyl]benzoic acid Formula: C28H32ClNO4S MolecularWeight: 514.07598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H32ClNO4S/c1-2-3-4-5-8-21-30(35(33,34)26-19-17-25(29)18-20-26)27-10-7-6-9-23(27)14-11-22-12-15-24(16-13-22)28(31)32/h6-7,9-10,12-13,15-20H,2-5,8,11,14,21H2,1H3,(H,31,32)