N-[4-[(1-cyclohexyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-[(1-cyclohexyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-[(1-cyclohexyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-[[1-cyclohexyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-[(1-cyclohexyl-2-phenylsulfanylethyl)amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[[1-cyclohexyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C33H32FN3O5S2 MolecularWeight: 633.752683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C33H32FN3O5S2/c34-27-17-15-24(16-18-27)23-11-13-26(14-12-23)33(38)36-44(41,42)29-19-20-30(32(21-29)37(39)40)35-31(25-7-3-1-4-8-25)22-43-28-9-5-2-6-10-28/h2,5-6,9-21,25,31,35H,1,3-4,7-8,22H2,(H,36,38)