4-[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2-ethoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-(4-o-phenetylsulfonylpiperazino)-6-piperidino-pyrimidine Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C21H29N5O3S/c1-2-29-18-8-4-5-9-19(18)30(27,28)26-14-12-25(13-15-26)21-16-20(22-17-23-21)24-10-6-3-7-11-24/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3