(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[4-(4-chlorophenyl)sulfonylpiperazino]-5-keto-3-methyl-valeric acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C16H21ClN2O5S/c1-12(11-16(21)22)10-15(20)18-6-8-19(9-7-18)25(23,24)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,22)/t12-/m0/s1