2-[3-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-(cyclohexylmethyl)-1-piperazinyl]sulfonyl]-4-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid Traditional Name: 2-[3-[4-(cyclohexylmethyl)piperazino]sulfonyl-4-methyl-phenyl]acetic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)N2CCN(CC2)CC3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)N2CCN(CC2)CC3CCCCC3

InChI

InChI=1S/C20H30N2O4S/c1-16-7-8-18(14-20(23)24)13-19(16)27(25,26)22-11-9-21(10-12-22)15-17-5-3-2-4-6-17/h7-8,13,17H,2-6,9-12,14-15H2,1H3,(H,23,24)