N-(4-azanylbutyl)-1-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methylsulfonyl]methanesulfonamide

Systemtic Name: N-(4-azanylbutyl)-1-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methylsulfonyl]methanesulfonamide Openeye Name: N-(4-aminobutyl)-1-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methylsulfonyl]methanesulfonamide CAS Name: N-(4-aminobutyl)-1-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methylsulfonyl]methanesulfonamide IUPAC Name: N-(4-aminobutyl)-1-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methylsulfonyl]methanesulfonamide Traditional Name: N-(4-aminobutyl)-N-(3,5-dimethylbenzyl)sulfonyl-1-(3,5-dimethylphenyl)methanesulfonamide Formula: C22H32N2O4S2 MolecularWeight: 452.63048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)N(CCCCN)S(=O)(=O)CC2=CC(=CC(=C2)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)N(CCCCN)S(=O)(=O)CC2=CC(=CC(=C2)C)C)C

InChI

InChI=1S/C22H32N2O4S2/c1-17-9-18(2)12-21(11-17)15-29(25,26)24(8-6-5-7-23)30(27,28)16-22-13-19(3)10-20(4)14-22/h9-14H,5-8,15-16,23H2,1-4H3