4-(3-butyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(3-butyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3-butyl-2-oxo-1,3-benzoxazol-6-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(3-butyl-2-oxo-1,3-benzoxazol-6-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(3-butyl-2-oxo-1,3-benzoxazol-6-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3-butyl-2-keto-1,3-benzoxazol-6-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H30N4O7S2 MolecularWeight: 646.7332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C32H30N4O7S2/c1-2-3-18-35-28-16-13-24(20-30(28)43-32(35)38)22-9-11-23(12-10-22)31(37)34-45(41,42)26-14-15-27(29(21-26)36(39)40)33-17-19-44-25-7-5-4-6-8-25/h4-16,20-21,33H,2-3,17-19H2,1H3,(H,34,37)