N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O5S/c1-30(28,29)16-6-7-17(20)18(12-16)21-19(25)13-22-8-10-23(11-9-22)14-2-4-15(5-3-14)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)