2-[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[4-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine Traditional Name: 2-[4-[4-(3-methoxyphenyl)sulfonylpiperazino]piperidino]-4,6-dimethyl-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)OC)C

InChI

InChI=1S/C22H31N5O3S/c1-17-15-18(2)24-22(23-17)26-9-7-19(8-10-26)25-11-13-27(14-12-25)31(28,29)21-6-4-5-20(16-21)30-3/h4-6,15-16,19H,7-14H2,1-3H3