4-[2-[2-[heptyl-(3-methylphenyl)sulfonyl-amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[heptyl-(3-methylphenyl)sulfonyl-amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[heptyl(m-tolylsulfonyl)amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[heptyl-(3-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[heptyl-(3-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[heptyl(m-tolylsulfonyl)amino]phenyl]ethyl]benzoic acid Formula: C29H35NO4S MolecularWeight: 493.6575

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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=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO4S/c1-3-4-5-6-9-21-30(35(33,34)27-13-10-11-23(2)22-27)28-14-8-7-12-25(28)18-15-24-16-19-26(20-17-24)29(31)32/h7-8,10-14,16-17,19-20,22H,3-6,9,15,18,21H2,1-2H3,(H,31,32)