(3,4-dimethoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H21N3O7S MolecularWeight: 435.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7S/c1-28-16-8-7-14(13-17(16)29-2)19(23)20-9-11-21(12-10-20)30(26,27)18-6-4-3-5-15(18)22(24)25/h3-8,13H,9-12H2,1-2H3