N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5S/c1-16-12-19(20(25(27)28)13-17(16)2)22-21(26)14-23-8-10-24(11-9-23)31(29,30)15-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,26)