(3R)-5-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3R)-5-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3R)-5-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-3-methyl-5-oxo-pentanoic acid CAS Name: (3R)-5-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-methyl-5-oxopentanoic acid IUPAC Name: (3R)-5-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid Traditional Name: (3R)-5-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-5-keto-3-methyl-valeric acid Formula: C14H19ClN2O5S2 MolecularWeight: 394.89406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)CC(=O)O

Isomeric SMILES

C[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)CC(=O)O

InChI

InChI=1S/C14H19ClN2O5S2/c1-10(9-13(19)20)8-12(18)16-4-6-17(7-5-16)24(21,22)14-3-2-11(15)23-14/h2-3,10H,4-9H2,1H3,(H,19,20)/t10-/m1/s1