N,N-bis[2-(4-methylphenyl)sulfonylethyl]pyrimidin-2-amine

Systemtic Name: N,N-bis[2-(4-methylphenyl)sulfonylethyl]pyrimidin-2-amine Openeye Name: N,N-bis[2-(p-tolylsulfonyl)ethyl]pyrimidin-2-amine CAS Name: N,N-bis[2-(4-methylphenyl)sulfonylethyl]-2-pyrimidinamine IUPAC Name: N,N-bis[2-(4-methylphenyl)sulfonylethyl]pyrimidin-2-amine Traditional Name: 2-pyrimidyl-bis(2-tosylethyl)amine Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN(CCS(=O)(=O)C2=CC=C(C=C2)C)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN(CCS(=O)(=O)C2=CC=C(C=C2)C)C3=NC=CC=N3

InChI

InChI=1S/C22H25N3O4S2/c1-18-4-8-20(9-5-18)30(26,27)16-14-25(22-23-12-3-13-24-22)15-17-31(28,29)21-10-6-19(2)7-11-21/h3-13H,14-17H2,1-2H3