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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]acetamide Formula: C19H21FN4O5S MolecularWeight: 436.457243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O5S/c1-14-5-6-15(11-18(14)20)21-19(25)13-22-7-9-23(10-8-22)30(28,29)17-4-2-3-16(12-17)24(26)27/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)