N,N-bis[3-[butyl(2-sulfanylethyl)amino]propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N,N-bis[3-[butyl(2-sulfanylethyl)amino]propyl]-4-methyl-benzenesulfonamide Openeye Name: N,N-bis[3-[butyl(2-sulfanylethyl)amino]propyl]-4-methyl-benzenesulfonamide CAS Name: N,N-bis[3-[butyl(2-mercaptoethyl)amino]propyl]-4-methylbenzenesulfonamide IUPAC Name: N,N-bis[3-[butyl(2-sulfanylethyl)amino]propyl]-4-methylbenzenesulfonamide Traditional Name: N,N-bis[3-[butyl(2-mercaptoethyl)amino]propyl]-4-methyl-benzenesulfonamide Formula: C25H47N3O2S3 MolecularWeight: 517.85458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCN(CCCN(CCCC)CCS)S(=O)(=O)C1=CC=C(C=C1)C)CCS

Isomeric SMILES

CCCCN(CCCN(CCCN(CCCC)CCS)S(=O)(=O)C1=CC=C(C=C1)C)CCS

InChI

InChI=1S/C25H47N3O2S3/c1-4-6-14-26(20-22-31)16-8-18-28(19-9-17-27(21-23-32)15-7-5-2)33(29,30)25-12-10-24(3)11-13-25/h10-13,31-32H,4-9,14-23H2,1-3H3