N-(2-chloranyl-5-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(4-tosylpiperazino)acetamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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