N1-[(S)-cyclopropyl(phenyl)methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[(S)-cyclopropyl(phenyl)methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[(S)-cyclopropyl(phenyl)methyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[(S)-cyclopropyl(phenyl)methyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[(S)-cyclopropyl(phenyl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S2/c1-3-22(4-2)28(25,26)19-14-12-18(13-15-19)27(23,24)21-20(17-10-11-17)16-8-6-5-7-9-16/h5-9,12-15,17,20-21H,3-4,10-11H2,1-2H3/t20-/m1/s1