N-[3-(2-azanylethylsulfanyl)propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(2-azanylethylsulfanyl)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(2-aminoethylsulfanyl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(2-aminoethylthio)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(2-aminoethylsulfanyl)propyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(2-aminoethylthio)propyl]-4-methyl-benzenesulfonamide Formula: C12H20N2O2S2 MolecularWeight: 288.4294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCN

InChI

InChI=1S/C12H20N2O2S2/c1-11-3-5-12(6-4-11)18(15,16)14-8-2-9-17-10-7-13/h3-6,14H,2,7-10,13H2,1H3