N-(1,3-benzoxazol-2-yl)-4-chloranyl-5-methyl-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: N-(1,3-benzoxazol-2-yl)-4-chloranyl-5-methyl-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: N-(1,3-benzoxazol-2-yl)-2-benzylsulfanyl-4-chloro-5-methyl-benzenesulfonamide CAS Name: N-(1,3-benzoxazol-2-yl)-4-chloro-5-methyl-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: N-(1,3-benzoxazol-2-yl)-2-benzylsulfanyl-4-chloro-5-methylbenzenesulfonamide Traditional Name: N-(1,3-benzoxazol-2-yl)-2-(benzylthio)-4-chloro-5-methyl-benzenesulfonamide Formula: C21H17ClN2O3S2 MolecularWeight: 444.95428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H17ClN2O3S2/c1-14-11-20(19(12-16(14)22)28-13-15-7-3-2-4-8-15)29(25,26)24-21-23-17-9-5-6-10-18(17)27-21/h2-12H,13H2,1H3,(H,23,24)