N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Openeye Name: 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide IUPAC Name: 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C33H32N4O5S2 MolecularWeight: 628.76098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC=C1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C33H32N4O5S2/c38-33(28-13-11-26(12-14-28)27-17-20-36(21-18-27)24-25-7-3-1-4-8-25)35-44(41,42)30-15-16-31(32(23-30)37(39)40)34-19-22-43-29-9-5-2-6-10-29/h1-17,23,34H,18-22,24H2,(H,35,38)