3-(1,2-benzoxazol-3-yl)-2-chloranyl-N-[2-chloranyl-5-(dodecylsulfamoyl)phenyl]-3-oxidanylidene-propanamide

Systemtic Name: 3-(1,2-benzoxazol-3-yl)-2-chloranyl-N-[2-chloranyl-5-(dodecylsulfamoyl)phenyl]-3-oxidanylidene-propanamide Openeye Name: 3-(1,2-benzoxazol-3-yl)-2-chloro-N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-3-oxo-propanamide CAS Name: 3-(1,2-benzoxazol-3-yl)-2-chloro-N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-3-oxopropanamide IUPAC Name: 3-(1,2-benzoxazol-3-yl)-2-chloro-N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-3-oxopropanamide Traditional Name: 2-chloro-N-[2-chloro-5-(laurylsulfamoyl)phenyl]-3-indoxazen-3-yl-3-keto-propionamide Formula: C28H35Cl2N3O5S MolecularWeight: 596.5656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=NOC3=CC=CC=C32)Cl

Isomeric SMILES

CCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=NOC3=CC=CC=C32)Cl

InChI

InChI=1S/C28H35Cl2N3O5S/c1-2-3-4-5-6-7-8-9-10-13-18-31-39(36,37)20-16-17-22(29)23(19-20)32-28(35)25(30)27(34)26-21-14-11-12-15-24(21)38-33-26/h11-12,14-17,19,25,31H,2-10,13,18H2,1H3,(H,32,35)