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

Systemtic Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-[4-(dimethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)-3-nitrophenyl]methanone Traditional Name: [4-(4-chlorophenyl)sulfonylpiperazino]-[4-(dimethylamino)-3-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)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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