(4-methoxy-3-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methoxy-3-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(4-methoxy-3-nitro-phenyl)methanone CAS Name: (4-methoxy-3-nitrophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(4-methoxy-3-nitrophenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(4-methoxy-3-nitro-phenyl)methanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-28-18-8-7-16(13-17(18)22(24)25)19(23)20-9-11-21(12-10-20)29(26,27)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3