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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S2/c1-3-19(29-20-14-16(2)22-15-23-20)21(26)24-17-8-10-18(11-9-17)30(27,28)25-12-6-4-5-7-13-25/h8-11,14-15,19H,3-7,12-13H2,1-2H3,(H,24,26)