4-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine

Systemtic Name: 4-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine Openeye Name: 4-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine CAS Name: 4-[4-(5-tert-butyl-2-methoxyphenyl)sulfonyl-1-piperazinyl]-6-ethoxy-2-methylpyrimidine IUPAC Name: 4-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine Traditional Name: 4-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazino]-6-ethoxy-2-methyl-pyrimidine Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)(C)C)OC)C

Isomeric SMILES

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(C)(C)C)OC)C

InChI

InChI=1S/C22H32N4O4S/c1-7-30-21-15-20(23-16(2)24-21)25-10-12-26(13-11-25)31(27,28)19-14-17(22(3,4)5)8-9-18(19)29-6/h8-9,14-15H,7,10-13H2,1-6H3