N-(3-chlorophenyl)-N-(phenylmethyl)-2-(phenylmethylsulfanyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(3-chlorophenyl)-N-(phenylmethyl)-2-(phenylmethylsulfanyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: N-benzyl-2-benzylsulfanyl-N-(3-chlorophenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: N-(3-chlorophenyl)-N-(phenylmethyl)-2-(phenylmethylthio)-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-benzyl-2-benzylsulfanyl-N-(3-chlorophenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: N-benzyl-2-(benzylthio)-N-(3-chlorophenyl)-1,3-benzoxazole-5-sulfonamide Formula: C27H21ClN2O3S2 MolecularWeight: 521.05024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OC(=N4)SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OC(=N4)SCC5=CC=CC=C5

InChI

InChI=1S/C27H21ClN2O3S2/c28-22-12-7-13-23(16-22)30(18-20-8-3-1-4-9-20)35(31,32)24-14-15-26-25(17-24)29-27(33-26)34-19-21-10-5-2-6-11-21/h1-17H,18-19H2