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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-pyridin-2-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-[oxo(2-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(pyridine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1-picolinoyl-3,6-dihydro-2H-pyridin-4-yl)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=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-])C(=O)C5=CC=CC=N5

InChI

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