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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide Traditional Name: 4-(2-keto-3H-1,3-benzoxazol-6-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C28H22N4O7S2 MolecularWeight: 590.62688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC5=C(C=C4)NC(=O)O5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC5=C(C=C4)NC(=O)O5)[N+](=O)[O-]

InChI

InChI=1S/C28H22N4O7S2/c33-27(19-8-6-18(7-9-19)20-10-12-24-26(16-20)39-28(34)30-24)31-41(37,38)22-11-13-23(25(17-22)32(35)36)29-14-15-40-21-4-2-1-3-5-21/h1-13,16-17,29H,14-15H2,(H,30,34)(H,31,33)