2,4-diethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide

Systemtic Name: 2,4-diethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide Openeye Name: 2,4-diethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide CAS Name: 2,4-diethoxy-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 2,4-diethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide Traditional Name: 2,4-diethoxy-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]benzenesulfonamide Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C)OCC

InChI

InChI=1S/C21H31N5O5S/c1-4-29-17-6-7-19(18(14-17)30-5-2)32(27,28)24-8-13-31-21-15-20(22-16-23-21)26-11-9-25(3)10-12-26/h6-7,14-16,24H,4-5,8-13H2,1-3H3