2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-(4-p-phenetylsulfonylpiperazino)nicotinic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H21N3O5S/c1-2-26-14-5-7-15(8-6-14)27(24,25)21-12-10-20(11-13-21)17-16(18(22)23)4-3-9-19-17/h3-9H,2,10-13H2,1H3,(H,22,23)