S-[9-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]nonyl] ethanethioate

Systemtic Name: S-[9-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]nonyl] ethanethioate Openeye Name: S-[9-[[5-(dimethylamino)-1-naphthyl]sulfonyl-methyl-amino]nonyl] ethanethioate CAS Name: ethanethioic acid S-[9-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-methylamino]nonyl] ester IUPAC Name: S-[9-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]nonyl] ethanethioate Traditional Name: ethanethioic acid S-[9-[methyl(naphthionyl)amino]nonyl] ester Formula: C24H36N2O3S2 MolecularWeight: 464.68424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CC(=O)SCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C24H36N2O3S2/c1-20(27)30-19-11-9-7-5-6-8-10-18-26(4)31(28,29)24-17-13-14-21-22(24)15-12-16-23(21)25(2)3/h12-17H,5-11,18-19H2,1-4H3