N-[4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-yl-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-yl-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-yl-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-(2-pyrimidinyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-ylphenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-(2-pyrimidyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C30H28FN5O5S MolecularWeight: 589.637223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=C(C=C2C3=NC=CC=N3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=C(C=C2C3=NC=CC=N3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C30H28FN5O5S/c31-24-13-11-22(12-14-24)21-7-9-23(10-8-21)30(37)35-42(40,41)25-17-26(29-32-15-4-16-33-29)28(27(18-25)36(38)39)34-19-20-5-2-1-3-6-20/h4,7-18,20,34H,1-3,5-6,19H2,(H,35,37)