3-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(6-methyl-4-pyrimidinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(6-methylpyrimidin-4-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N4O3S2/c1-14-12-18(20-13-19-14)26-11-8-17(23)21-15-4-6-16(7-5-15)27(24,25)22-9-2-3-10-22/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,23)