(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-morpholinosulfonyl-2-pyrrolidino-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H30N6O4S/c30-22(27-10-12-28(13-11-27)23-24-6-3-7-25-23)20-18-19(4-5-21(20)26-8-1-2-9-26)34(31,32)29-14-16-33-17-15-29/h3-7,18H,1-2,8-17H2