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

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methoxy-5-nitro-phenyl)methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methoxy-5-nitrophenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(2-methoxy-5-nitro-phenyl)methanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-28-18-8-7-16(22(24)25)13-17(18)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