[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c1-15(32-21(27)16-8-9-18(22-2)19(14-16)25(28)29)20(26)23-10-12-24(13-11-23)33(30,31)17-6-4-3-5-7-17/h3-9,14-15,22H,10-13H2,1-2H3/t15-/m1/s1