4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C17H27N3O3S2/c1-14-5-6-16(13-15(14)2)24-12-7-17(21)19-8-10-20(11-9-19)25(22,23)18(3)4/h5-6,13H,7-12H2,1-4H3