2-ethoxy-5-(4-phenylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-ethoxy-5-(4-phenylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-ethoxy-5-[(4-phenyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-ethoxy-5-[(4-phenyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-ethoxy-5-(4-phenylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-ethoxy-5-(4-phenylpiperidino)sulfonyl-benzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-2-26-19-9-8-17(14-18(19)20(22)23)27(24,25)21-12-10-16(11-13-21)15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H,22,23)