N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]acetamide Formula: C21H25FN4O6S MolecularWeight: 480.509803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O6S/c1-15-3-4-16(11-18(15)22)13-23-21(27)14-24-7-9-25(10-8-24)33(30,31)17-5-6-20(32-2)19(12-17)26(28)29/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,27)