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

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

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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=N5

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=N5

InChI

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