N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C25H28N4O3S2/c1-18-17-19(2)27-25(26-18)33-22-10-8-21(9-11-22)28-24(30)14-7-20-5-12-23(13-6-20)34(31,32)29-15-3-4-16-29/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,28,30)