(4-methyl-3-nitro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: (4-methyl-3-nitro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: (4-methyl-3-nitrophenyl)-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: (4-methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-mesylpiperazino)-(4-methyl-3-nitro-phenyl)methanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-10-3-4-11(9-12(10)16(18)19)13(17)14-5-7-15(8-6-14)22(2,20)21/h3-4,9H,5-8H2,1-2H3