5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-[(4-tert-butylphenyl)methyl-(2-furylmethyl)amino]-N-(4-chlorophenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-[(4-tert-butylphenyl)methyl-(2-furanylmethyl)amino]-N-(4-chlorophenyl)-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[(4-tert-butylbenzyl)-(2-furfuryl)amino]-N-(4-chlorophenyl)-2-esyl-pyrimidine-4-carboxamide Formula: C29H31ClN4O4S MolecularWeight: 567.09884

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)Cl)N(CC3=CC=C(C=C3)C(C)(C)C)CC4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)Cl)N(CC3=CC=C(C=C3)C(C)(C)C)CC4=CC=CO4

InChI

InChI=1S/C29H31ClN4O4S/c1-5-39(36,37)28-31-17-25(26(33-28)27(35)32-23-14-12-22(30)13-15-23)34(19-24-7-6-16-38-24)18-20-8-10-21(11-9-20)29(2,3)4/h6-17H,5,18-19H2,1-4H3,(H,32,35)