methyl 5-[bis[(phenylmethyl)sulfonyl]amino]-2-phenylsulfanyl-benzoate

Systemtic Name: methyl 5-[bis[(phenylmethyl)sulfonyl]amino]-2-phenylsulfanyl-benzoate Openeye Name: methyl 5-[bis(benzylsulfonyl)amino]-2-phenylsulfanyl-benzoate CAS Name: 5-[bis[(phenylmethyl)sulfonyl]amino]-2-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 5-[bis(benzylsulfonyl)amino]-2-phenylsulfanylbenzoate Traditional Name: 5-[bis(benzylsulfonyl)amino]-2-(phenylthio)benzoic acid methyl ester Formula: C28H25NO6S3 MolecularWeight: 567.6962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H25NO6S3/c1-35-28(30)26-19-24(17-18-27(26)36-25-15-9-4-10-16-25)29(37(31,32)20-22-11-5-2-6-12-22)38(33,34)21-23-13-7-3-8-14-23/h2-19H,20-21H2,1H3