2-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylethanoic acid

Systemtic Name: 2-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylethanoic acid Openeye Name: 2-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylacetic acid CAS Name: 2-[[4-(4-pentylphenyl)-1-piperazinyl]sulfonyl]acetic acid IUPAC Name: 2-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylacetic acid Traditional Name: 2-[4-(4-amylphenyl)piperazino]sulfonylacetic acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CC(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C17H26N2O4S/c1-2-3-4-5-15-6-8-16(9-7-15)18-10-12-19(13-11-18)24(22,23)14-17(20)21/h6-9H,2-5,10-14H2,1H3,(H,20,21)