N-[6-chloranyl-5-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylsulfanyl-benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylsulfanyl-benzenesulfonamide Openeye Name: N-[6-chloro-5-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-4-isopropylsulfanyl-benzenesulfonamide CAS Name: N-[6-chloro-5-[(2-methoxyphenyl)methyl]-4-pyrimidinyl]-4-(propan-2-ylthio)benzenesulfonamide IUPAC Name: N-[6-chloro-5-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylsulfanylbenzenesulfonamide Traditional Name: N-(6-chloro-5-o-anisyl-pyrimidin-4-yl)-4-(isopropylthio)benzenesulfonamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H22ClN3O3S2/c1-14(2)29-16-8-10-17(11-9-16)30(26,27)25-21-18(20(22)23-13-24-21)12-15-6-4-5-7-19(15)28-3/h4-11,13-14H,12H2,1-3H3,(H,23,24,25)