N-[3-acetamido-2-[1-(2-chloranyl-5-methyl-phenyl)-2-oxidanylidene-2-phenyl-ethoxy]-5-[(5-sulfamoyl-2,1-benzothiazol-3-yl)diazenyl]phenyl]ethanamide

Systemtic Name: N-[3-acetamido-2-[1-(2-chloranyl-5-methyl-phenyl)-2-oxidanylidene-2-phenyl-ethoxy]-5-[(5-sulfamoyl-2,1-benzothiazol-3-yl)diazenyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-2-[1-(2-chloro-5-methyl-phenyl)-2-oxo-2-phenyl-ethoxy]-5-[(5-sulfamoyl-2,1-benzothiazol-3-yl)azo]phenyl]acetamide CAS Name: N-[3-acetamido-2-[1-(2-chloro-5-methylphenyl)-2-oxo-2-phenylethoxy]-5-[(5-sulfamoyl-2,1-benzothiazol-3-yl)azo]phenyl]acetamide IUPAC Name: N-[3-acetamido-2-[1-(2-chloro-5-methylphenyl)-2-oxo-2-phenylethoxy]-5-[(5-sulfamoyl-2,1-benzothiazol-3-yl)diazenyl]phenyl]acetamide Traditional Name: N-[3-acetamido-2-[1-(2-chloro-5-methyl-phenyl)-2-keto-2-phenyl-ethoxy]-5-[(5-sulfamoyl-2,1-benzothiazol-3-yl)azo]phenyl]acetamide Formula: C32H27ClN6O6S2 MolecularWeight: 691.17638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)C(C(=O)C2=CC=CC=C2)OC3=C(C=C(C=C3NC(=O)C)N=NC4=C5C=C(C=CC5=NS4)S(=O)(=O)N)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)C(C(=O)C2=CC=CC=C2)OC3=C(C=C(C=C3NC(=O)C)N=NC4=C5C=C(C=CC5=NS4)S(=O)(=O)N)NC(=O)C

InChI

InChI=1S/C32H27ClN6O6S2/c1-17-9-11-25(33)23(13-17)30(29(42)20-7-5-4-6-8-20)45-31-27(35-18(2)40)14-21(15-28(31)36-19(3)41)37-38-32-24-16-22(47(34,43)44)10-12-26(24)39-46-32/h4-16,30H,1-3H3,(H,35,40)(H,36,41)(H2,34,43,44)