N,N-diethyl-4-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(2S)-2-(p-tolyl)pyrrolidin-1-yl]sulfonyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(2S)-2-(4-methylphenyl)-1-pyrrolidinyl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2S)-2-(p-tolyl)pyrrolidino]sulfonyl-benzenesulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N2O4S2/c1-4-22(5-2)28(24,25)19-12-14-20(15-13-19)29(26,27)23-16-6-7-21(23)18-10-8-17(3)9-11-18/h8-15,21H,4-7,16H2,1-3H3/t21-/m0/s1