N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[(E)-styryl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[(E)-styryl]benzamide Formula: C29H25N3O5S2 MolecularWeight: 559.6559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O5S2/c33-29(24-15-13-23(14-16-24)12-11-22-7-3-1-4-8-22)31-39(36,37)26-17-18-27(28(21-26)32(34)35)30-19-20-38-25-9-5-2-6-10-25/h1-18,21,30H,19-20H2,(H,31,33)/b12-11+