4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)OC

InChI

InChI=1S/C21H29N5O4S/c1-29-18-7-6-17(14-19(18)30-2)31(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