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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]acetamide Formula: C19H21BrN4O5S MolecularWeight: 497.36284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O5S/c1-14-5-6-18(17(20)11-14)21-19(25)13-22-7-9-23(10-8-22)30(28,29)16-4-2-3-15(12-16)24(26)27/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)