[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide

Systemtic Name: [3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide Openeye Name: [3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide CAS Name: [3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indol-5-yl]methanesulfonamide IUPAC Name: [3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide Traditional Name: [3-[3-[4-(5-methoxypyrimidin-4-yl)piperazino]propyl]-1H-indol-5-yl]methanesulfonamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3S/c1-30-20-13-23-15-25-21(20)27-9-7-26(8-10-27)6-2-3-17-12-24-19-5-4-16(11-18(17)19)14-31(22,28)29/h4-5,11-13,15,24H,2-3,6-10,14H2,1H3,(H2,22,28,29)