2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-yl-pyrimidine

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-yl-pyrimidine Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(1-piperidyl)pyrimidine CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-4-methyl-6-piperidino-pyrimidine Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)N4CCCCC4

InChI

InChI=1S/C22H31N5O4S/c1-17-15-21(25-9-5-4-6-10-25)24-22(23-17)26-11-13-27(14-12-26)32(28,29)18-7-8-19(30-2)20(16-18)31-3/h7-8,15-16H,4-6,9-14H2,1-3H3