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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-[(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=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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