N-[4-(cyclohexylmethylamino)-3-ethenyl-5-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-(cyclohexylmethylamino)-3-ethenyl-5-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-vinyl-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-(cyclohexylmethylamino)-3-ethenyl-5-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-(cyclohexylmethylamino)-3-ethenyl-5-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-(cyclohexylmethylamino)-3-nitro-5-vinyl-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C28H28FN3O5S MolecularWeight: 537.602423

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=CC(=C1NCC2CCCCC2)[N+](=O)[O-])S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C=CC1=CC(=CC(=C1NCC2CCCCC2)[N+](=O)[O-])S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H28FN3O5S/c1-2-20-16-25(17-26(32(34)35)27(20)30-18-19-6-4-3-5-7-19)38(36,37)31-28(33)23-10-8-21(9-11-23)22-12-14-24(29)15-13-22/h2,8-17,19,30H,1,3-7,18H2,(H,31,33)