3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(2-methylsulfonylethyl)-1H-indole

Systemtic Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(2-methylsulfonylethyl)-1H-indole Openeye Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(2-methylsulfonylethyl)-1H-indole CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-(2-methylsulfonylethyl)-1H-indole IUPAC Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(2-methylsulfonylethyl)-1H-indole Traditional Name: 5-(2-mesylethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazino]propyl]-1H-indole Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)CCS(=O)(=O)C

Isomeric SMILES

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)CCS(=O)(=O)C

InChI

InChI=1S/C23H31N5O3S/c1-31-22-16-24-17-26-23(22)28-11-9-27(10-12-28)8-3-4-19-15-25-21-6-5-18(14-20(19)21)7-13-32(2,29)30/h5-6,14-17,25H,3-4,7-13H2,1-2H3