1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-2-phenoxy-propan-1-one Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O6S/c1-15-8-9-17(23(25)26)14-19(15)30(27,28)22-12-10-21(11-13-22)20(24)16(2)29-18-6-4-3-5-7-18/h3-9,14,16H,10-13H2,1-2H3