[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H25N3O7S2 MolecularWeight: 447.5263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O7S2/c1-13-4-6-15(7-5-13)29(25,26)18-14(2)17(22)27-12-16(21)19-8-10-20(11-9-19)28(3,23)24/h4-7,14,18H,8-12H2,1-3H3/t14-/m0/s1