4-(4-fluorophenyl)-N-[4-[[3-[(2-methylpropan-2-yl)oxy]-2-phenylsulfanyl-propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[[3-[(2-methylpropan-2-yl)oxy]-2-phenylsulfanyl-propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: N-[4-[(3-tert-butoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[3-[(2-methylpropan-2-yl)oxy]-2-(phenylthio)propyl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[[3-[(2-methylpropan-2-yl)oxy]-2-phenylsulfanylpropyl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: N-[4-[[3-tert-butoxy-2-(phenylthio)propyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C32H32FN3O6S2 MolecularWeight: 637.741383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CNC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OCC(CNC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C32H32FN3O6S2/c1-32(2,3)42-21-27(43-26-7-5-4-6-8-26)20-34-29-18-17-28(19-30(29)36(38)39)44(40,41)35-31(37)24-11-9-22(10-12-24)23-13-15-25(33)16-14-23/h4-19,27,34H,20-21H2,1-3H3,(H,35,37)