N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

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