2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-[4-(4-butoxyphenyl)sulfonylpiperazino]-4-methyl-6-pyrrolidino-pyrimidine Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CCCC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CCCC4)C

InChI

InChI=1S/C23H33N5O3S/c1-3-4-17-31-20-7-9-21(10-8-20)32(29,30)28-15-13-27(14-16-28)23-24-19(2)18-22(25-23)26-11-5-6-12-26/h7-10,18H,3-6,11-17H2,1-2H3