4-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)OC

InChI

InChI=1S/C22H31N5O3S/c1-17-13-19(30-3)20(14-18(17)2)31(28,29)27-11-9-26(10-12-27)22-15-21(23-16-24-22)25-7-5-4-6-8-25/h13-16H,4-12H2,1-3H3