4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine

Systemtic Name: 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine Openeye Name: 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine CAS Name: 4-[6-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-4-pyrimidinyl]morpholine IUPAC Name: 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine Traditional Name: 4-[6-[4-(4-butoxyphenyl)sulfonylpiperazino]pyrimidin-4-yl]morpholine Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C22H31N5O4S/c1-2-3-14-31-19-4-6-20(7-5-19)32(28,29)27-10-8-25(9-11-27)21-17-22(24-18-23-21)26-12-15-30-16-13-26/h4-7,17-18H,2-3,8-16H2,1H3