[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone

Systemtic Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone Openeye Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-[2-(dimethylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: [4-(3-chlorophenyl)sulfonylpiperazino]-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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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)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O5S/c1-21(2)18-7-6-15(24(26)27)13-17(18)19(25)22-8-10-23(11-9-22)30(28,29)16-5-3-4-14(20)12-16/h3-7,12-13H,8-11H2,1-2H3