methyl 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate Openeye Name: methyl 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-morpholinosulfonyl-pyridine-3-carboxylate CAS Name: 6-[4-(4-hydroxyphenyl)-1-piperazinyl]-5-(4-morpholinylsulfonyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate Traditional Name: 6-[4-(4-hydroxyphenyl)piperazino]-5-morpholinosulfonyl-nicotinic acid methyl ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3=CC=C(C=C3)O)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3=CC=C(C=C3)O)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O6S/c1-30-21(27)16-14-19(32(28,29)25-10-12-31-13-11-25)20(22-15-16)24-8-6-23(7-9-24)17-2-4-18(26)5-3-17/h2-5,14-15,26H,6-13H2,1H3