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

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

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Descriptors Computed from Structure

Canonical SMILES:

CON1CCN(CC1C2=NC=NC=C2)CCCC3=CNC4=C3C=C(C=C4)CCS(=O)(=O)C

Isomeric SMILES

CON1CCN(CC1C2=NC=NC=C2)CCCC3=CNC4=C3C=C(C=C4)CCS(=O)(=O)C

InChI

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