N-[4-(3-cyclohexylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-(3-cyclohexylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-(3-cyclohexylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-(3-cyclohexylpropylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-(3-cyclohexylpropylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-(3-cyclohexylpropylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C28H30FN3O5S MolecularWeight: 539.618303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C28H30FN3O5S/c29-24-14-12-22(13-15-24)21-8-10-23(11-9-21)28(33)31-38(36,37)25-16-17-26(27(19-25)32(34)35)30-18-4-7-20-5-2-1-3-6-20/h8-17,19-20,30H,1-7,18H2,(H,31,33)