[2-(dimethylamino)-5-nitro-phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O5S/c1-21(2)19-9-8-17(24(26)27)14-18(19)20(25)22-10-12-23(13-11-22)30(28,29)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3