4-[4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(4-methoxy-2,3,5-trimethylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methoxy-2,3,5-trimethyl-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

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