3-[8-benzamido-3-[(2-chloranyl-4-dodecylsulfonyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxypropanoic acid

Systemtic Name: 3-[8-benzamido-3-[(2-chloranyl-4-dodecylsulfonyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxypropanoic acid Openeye Name: 3-[[8-benzamido-3-[(2-chloro-4-dodecylsulfonyl-phenyl)carbamoyl]-4-hydroxy-1-naphthyl]oxy]propanoic acid CAS Name: 3-[[8-benzamido-3-[(2-chloro-4-dodecylsulfonylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]propanoic acid IUPAC Name: 3-[8-benzamido-3-[(2-chloro-4-dodecylsulfonylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]oxypropanoic acid Traditional Name: 3-[8-benzamido-3-[(2-chloro-4-laurylsulfonyl-phenyl)carbamoyl]-4-hydroxy-1-naphthoxy]propionic acid Formula: C39H45ClN2O8S MolecularWeight: 737.3012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C3C(=C2O)C=CC=C3NC(=O)C4=CC=CC=C4)OCCC(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C3C(=C2O)C=CC=C3NC(=O)C4=CC=CC=C4)OCCC(=O)O)Cl

InChI

InChI=1S/C39H45ClN2O8S/c1-2-3-4-5-6-7-8-9-10-14-24-51(48,49)28-20-21-32(31(40)25-28)41-39(47)30-26-34(50-23-22-35(43)44)36-29(37(30)45)18-15-19-33(36)42-38(46)27-16-12-11-13-17-27/h11-13,15-21,25-26,45H,2-10,14,22-24H2,1H3,(H,41,47)(H,42,46)(H,43,44)