N-(2-chloranyl-5-nitro-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-chloro-5-nitrophenyl)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3-[(4-mesylpiperazino)methyl]benzamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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