4-[2-[2-[heptyl(naphthalen-2-ylsulfonyl)amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[heptyl(naphthalen-2-ylsulfonyl)amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[heptyl(2-naphthylsulfonyl)amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[heptyl(2-naphthalenylsulfonyl)amino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[heptyl(naphthalen-2-ylsulfonyl)amino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[heptyl(2-naphthylsulfonyl)amino]phenyl]ethyl]benzoic acid Formula: C32H35NO4S MolecularWeight: 529.6896

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H35NO4S/c1-2-3-4-5-10-23-33(38(36,37)30-22-21-26-11-6-7-13-29(26)24-30)31-14-9-8-12-27(31)18-15-25-16-19-28(20-17-25)32(34)35/h6-9,11-14,16-17,19-22,24H,2-5,10,15,18,23H2,1H3,(H,34,35)