N-cyclohexyl-N-methyl-4-[4-(methylsulfanylmethyl)phenyl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-4-[4-(methylsulfanylmethyl)phenyl]carbonyl-piperazine-1-sulfonamide Openeye Name: N-cyclohexyl-N-methyl-4-[4-(methylsulfanylmethyl)benzoyl]piperazine-1-sulfonamide CAS Name: N-cyclohexyl-N-methyl-4-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinesulfonamide IUPAC Name: N-cyclohexyl-N-methyl-4-[4-(methylsulfanylmethyl)benzoyl]piperazine-1-sulfonamide Traditional Name: N-cyclohexyl-N-methyl-4-[4-[(methylthio)methyl]benzoyl]piperazine-1-sulfonamide Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC

InChI

InChI=1S/C20H31N3O3S2/c1-21(19-6-4-3-5-7-19)28(25,26)23-14-12-22(13-15-23)20(24)18-10-8-17(9-11-18)16-27-2/h8-11,19H,3-7,12-16H2,1-2H3