5-[4-(4-ethoxyphenyl)-1-methyl-3-sulfonyl-piperazin-2-yl]pyrimidine

Systemtic Name: 5-[4-(4-ethoxyphenyl)-1-methyl-3-sulfonyl-piperazin-2-yl]pyrimidine Openeye Name: 5-[4-(4-ethoxyphenyl)-1-methyl-3-sulfonyl-piperazin-2-yl]pyrimidine CAS Name: 5-[4-(4-ethoxyphenyl)-1-methyl-3-sulfonyl-2-piperazinyl]pyrimidine IUPAC Name: 5-[4-(4-ethoxyphenyl)-1-methyl-3-sulfonylpiperazin-2-yl]pyrimidine Traditional Name: 5-(1-methyl-4-p-phenetyl-3-sulfonyl-piperazin-2-yl)pyrimidine Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCN(C(C2=S(=O)=O)C3=CN=CN=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCN(C(C2=S(=O)=O)C3=CN=CN=C3)C

InChI

InChI=1S/C17H20N4O3S/c1-3-24-15-6-4-14(5-7-15)21-9-8-20(2)16(17(21)25(22)23)13-10-18-12-19-11-13/h4-7,10-12,16H,3,8-9H2,1-2H3