[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H28ClN3O5S/c1-17(2)22(25-33(30,31)20-10-6-7-18(24)15-20)23(29)32-16-21(28)27-13-11-26(12-14-27)19-8-4-3-5-9-19/h3-10,15,17,22,25H,11-14,16H2,1-2H3/t22-/m0/s1