1-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[5-(ethylthio)-7-imidazo[1,2-c]pyrimidinyl]-2-methoxyphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[5-(ethylthio)imidazo[1,2-c]pyrimidin-7-yl]-2-methoxy-phenyl]sulfonylisonipecotic acid Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC2=NC=CN21)C3=CC(=C(C=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CCSC1=NC(=CC2=NC=CN21)C3=CC(=C(C=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C21H24N4O5S2/c1-3-31-21-23-16(13-19-22-8-11-25(19)21)15-4-5-18(17(12-15)30-2)32(28,29)24-9-6-14(7-10-24)20(26)27/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,26,27)