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

Systemtic Name: 4-chloranyl-5-methyl-N-(5-nitro-1,3-benzoxazol-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(5-nitro-1,3-benzoxazol-2-yl)benzenesulfonamide CAS Name: 4-chloro-5-methyl-N-(5-nitro-1,3-benzoxazol-2-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(5-nitro-1,3-benzoxazol-2-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-5-methyl-N-(5-nitro-1,3-benzoxazol-2-yl)benzenesulfonamide Formula: C21H16ClN3O5S2 MolecularWeight: 489.95184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O5S2/c1-13-9-20(19(11-16(13)22)31-12-14-5-3-2-4-6-14)32(28,29)24-21-23-17-10-15(25(26)27)7-8-18(17)30-21/h2-11H,12H2,1H3,(H,23,24)