2-[[4-[3-(2-methylpiperidin-1-yl)propylsulfamoyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[3-(2-methylpiperidin-1-yl)propylsulfamoyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[3-(2-methyl-1-piperidyl)propylsulfamoyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[3-(2-methyl-1-piperidinyl)propylsulfamoyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[3-(2-methylpiperidin-1-yl)propylsulfamoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[3-(2-methylpiperidino)propylsulfamoyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H37N3O5S2 MolecularWeight: 547.72978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1CCCNS(=O)(=O)C2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O5S2/c1-20-9-6-7-16-30(20)17-8-15-28-37(34,35)22-12-13-23(24(19-22)21-10-4-3-5-11-21)26(31)29-25(27(32)33)14-18-36-2/h3-5,10-13,19-20,25,28H,6-9,14-18H2,1-2H3,(H,29,31)(H,32,33)