4-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[(2S)-2-[(4-chlorophenyl)thio]-1-oxopropyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[(2S)-2-[(4-chlorophenyl)thio]propanoyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C17H26ClN3O3S2 MolecularWeight: 419.98964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H26ClN3O3S2/c1-4-20(5-2)26(23,24)21-12-10-19(11-13-21)17(22)14(3)25-16-8-6-15(18)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3/t14-/m0/s1