N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O3S2/c1-16-14-20(22-15-21-16)28-13-10-19(25)23-17-6-8-18(9-7-17)29(26,27)24-11-4-2-3-5-12-24/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,25)