4-(4-fluorophenyl)-N-[3-nitro-4-(2-thiopyran-1-ylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-thiopyran-1-ylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-thiopyran-1-ylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(1-thiopyranyl)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-thiopyran-1-ylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-thiopyran-1-ylethylamino)phenyl]sulfonyl-benzamide Formula: C26H22FN3O5S2 MolecularWeight: 539.598383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=S(C=C1)CCNC2=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

C1=CC=S(C=C1)CCNC2=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/C26H22FN3O5S2/c27-22-10-8-20(9-11-22)19-4-6-21(7-5-19)26(31)29-37(34,35)23-12-13-24(25(18-23)30(32)33)28-14-17-36-15-2-1-3-16-36/h1-13,15-16,18,28H,14,17H2,(H,29,31)