4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S2/c1-3-25(4-2)31(28,29)26-15-13-24(14-16-26)22(27)19-7-5-18(6-8-19)17-30-21-11-9-20(23)10-12-21/h5-12H,3-4,13-17H2,1-2H3