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

Systemtic Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-17-6-7-18(29-2)19(14-17)30(27,28)26-12-10-25(11-13-26)21-15-20(22-16-23-21)24-8-4-3-5-9-24/h6-7,14-16H,3-5,8-13H2,1-2H3