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

Systemtic Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole Openeye Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-(methylsulfonylmethyl)-1H-indole IUPAC Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole Traditional Name: 5-(mesylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazino]propyl]-1H-indole Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3S/c1-30-21-14-23-16-25-22(21)27-10-8-26(9-11-27)7-3-4-18-13-24-20-6-5-17(12-19(18)20)15-31(2,28)29/h5-6,12-14,16,24H,3-4,7-11,15H2,1-2H3