N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C27H32N4O3S2 MolecularWeight: 524.69798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H32N4O3S2/c1-3-25(35-26-19-24(28-20(2)29-26)21-11-7-6-8-12-21)27(32)30-22-13-15-23(16-14-22)36(33,34)31-17-9-4-5-10-18-31/h6-8,11-16,19,25H,3-5,9-10,17-18H2,1-2H3,(H,30,32)