N,N-diethyl-2-methyl-5-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-2-methyl-5-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]benzenesulfonamide Openeye Name: 5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-N,N-diethyl-2-methyl-benzenesulfonamide CAS Name: N,N-diethyl-2-methyl-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-N,N-diethyl-2-methylbenzenesulfonamide Traditional Name: 5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-N,N-diethyl-2-methyl-benzenesulfonamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H33N3O3S/c1-4-27(5-2)31(29,30)23-18-22(13-12-20(23)3)24(28)26-15-9-14-25(16-17-26)19-21-10-7-6-8-11-21/h6-8,10-13,18H,4-5,9,14-17,19H2,1-3H3/p+1