3-[5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-(4-p-phenetylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C19H24N4O6S/c1-2-29-15-3-5-16(6-4-15)30(27,28)22-13-11-21(12-14-22)19(26)17-7-9-20-23(17)10-8-18(24)25/h3-7,9H,2,8,10-14H2,1H3,(H,24,25)