N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)F

InChI

InChI=1S/C21H25FN4O5S/c1-14-4-6-17(12-19(14)22)23-21(27)16(3)24-8-10-25(11-9-24)32(30,31)20-13-18(26(28)29)7-5-15(20)2/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,27)