5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC(=O)O)C

InChI

InChI=1S/C17H24N2O5S/c1-13-6-7-15(12-14(13)2)25(23,24)19-10-8-18(9-11-19)16(20)4-3-5-17(21)22/h6-7,12H,3-5,8-11H2,1-2H3,(H,21,22)