methyl 2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]carbonylamino]propanoate Openeye Name: methyl 2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-benzoyl]amino]propanoate CAS Name: 2-[[[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrobenzoyl]amino]propanoate Traditional Name: 2-[[5-(4-mesylpiperazino)-2-nitro-benzoyl]amino]propionic acid methyl ester Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O7S/c1-11(16(22)27-2)17-15(21)13-10-12(4-5-14(13)20(23)24)18-6-8-19(9-7-18)28(3,25)26/h4-5,10-11H,6-9H2,1-3H3,(H,17,21)