N-hexyl-N-[hexyl-(phenylmethyl)sulfonyl-amino]sulfanyl-1-phenyl-methanesulfonamide

Systemtic Name: N-hexyl-N-[hexyl-(phenylmethyl)sulfonyl-amino]sulfanyl-1-phenyl-methanesulfonamide Openeye Name: N-[benzylsulfonyl(hexyl)amino]sulfanyl-N-hexyl-1-phenyl-methanesulfonamide CAS Name: N-hexyl-N-[[hexyl-(phenylmethyl)sulfonylamino]thio]-1-phenylmethanesulfonamide IUPAC Name: N-[benzylsulfonyl(hexyl)amino]sulfanyl-N-hexyl-1-phenylmethanesulfonamide Traditional Name: N-[[benzylsulfonyl(hexyl)amino]thio]-N-hexyl-1-phenyl-methanesulfonamide Formula: C26H40N2O4S3 MolecularWeight: 540.8018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(SN(CCCCCC)S(=O)(=O)CC1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCN(SN(CCCCCC)S(=O)(=O)CC1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C26H40N2O4S3/c1-3-5-7-15-21-27(34(29,30)23-25-17-11-9-12-18-25)33-28(22-16-8-6-4-2)35(31,32)24-26-19-13-10-14-20-26/h9-14,17-20H,3-8,15-16,21-24H2,1-2H3