4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-methoxy-3-methylphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazino]-2-methyl-6-piperidino-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C)OC

InChI

InChI=1S/C22H31N5O3S/c1-17-15-19(7-8-20(17)30-3)31(28,29)27-13-11-26(12-14-27)22-16-21(23-18(2)24-22)25-9-5-4-6-10-25/h7-8,15-16H,4-6,9-14H2,1-3H3