4-[2-[2-[butyl(naphthalen-1-ylsulfonyl)amino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[butyl(naphthalen-1-ylsulfonyl)amino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[butyl(1-naphthylsulfonyl)amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[2-[butyl(1-naphthalenylsulfonyl)amino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[butyl(naphthalen-1-ylsulfonyl)amino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[butyl(1-naphthylsulfonyl)amino]phenyl]ethyl]benzoic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCN(C1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H29NO4S/c1-2-3-21-30(35(33,34)28-14-8-11-23-9-4-6-12-26(23)28)27-13-7-5-10-24(27)18-15-22-16-19-25(20-17-22)29(31)32/h4-14,16-17,19-20H,2-3,15,18,21H2,1H3,(H,31,32)