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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(3-pyridylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(3-pyridinylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(3-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=CN=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=CN=CC=C5

InChI

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