[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-(methylsulfonylamino)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-(methylsulfonylamino)benzoate Openeye Name: [(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid [(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid [(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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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(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H25N3O7S2/c1-16(31-21(26)17-7-6-8-18(15-17)22-32(2,27)28)20(25)23-11-13-24(14-12-23)33(29,30)19-9-4-3-5-10-19/h3-10,15-16,22H,11-14H2,1-2H3/t16-/m0/s1