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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-pyridin-3-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-[oxo(3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Traditional Name: 4-(1-nicotinoyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H29N5O6S2 MolecularWeight: 643.73256

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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-])C(=O)C5=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-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H29N5O6S2/c38-31(25-10-8-23(9-11-25)24-14-18-36(19-15-24)32(39)26-5-4-16-33-22-26)35-45(42,43)28-12-13-29(30(21-28)37(40)41)34-17-20-44-27-6-2-1-3-7-27/h1-14,16,21-22,34H,15,17-20H2,(H,35,38)