2-[[5-chloranyl-2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-chloranyl-2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-chloro-2-[[5-(dibutylamino)-1-naphthyl]sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-chloro-2-[[5-(dibutylamino)-1-naphthalenyl]sulfonylamino]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-chloro-2-[[5-(dibutylamino)naphthalen-1-yl]sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-chloro-2-[[5-(dibutylamino)-1-naphthyl]sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C40H42ClN3O5S MolecularWeight: 712.29658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C40H42ClN3O5S/c1-3-5-24-44(25-6-4-2)37-16-10-15-33-32(37)14-11-17-38(33)50(48,49)43-35-23-22-31(41)27-34(35)39(45)42-36(40(46)47)26-28-18-20-30(21-19-28)29-12-8-7-9-13-29/h7-23,27,36,43H,3-6,24-26H2,1-2H3,(H,42,45)(H,46,47)