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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(4-pyridylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(4-pyridylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Formula: C32H31N5O5S2 MolecularWeight: 629.74904

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=NC=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=NC=C5

InChI

InChI=1S/C32H31N5O5S2/c38-32(27-8-6-25(7-9-27)26-14-19-36(20-15-26)23-24-12-16-33-17-13-24)35-44(41,42)29-10-11-30(31(22-29)37(39)40)34-18-21-43-28-4-2-1-3-5-28/h1-14,16-17,22,34H,15,18-21,23H2,(H,35,38)