4-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(2,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(2,4-diethoxyphenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OCC

InChI

InChI=1S/C22H31N5O4S/c1-3-30-18-7-8-20(19(15-18)31-4-2)32(28,29)27-13-11-26(12-14-27)22-16-21(23-17-24-22)25-9-5-6-10-25/h7-8,15-17H,3-6,9-14H2,1-2H3