N,N-dimethyl-2-[4-[4-methyl-3-[(phenylmethyl)sulfamoyl]phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[4-methyl-3-[(phenylmethyl)sulfamoyl]phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-(benzylsulfamoyl)-4-methyl-benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: N,N-dimethyl-2-[4-[[4-methyl-3-[(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: 2-[4-[3-(benzylsulfamoyl)-4-methylbenzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3-(benzylsulfamoyl)-4-methyl-benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC[NH+](CC2)CC(=O)N(C)C)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[NH+](CC2)CC(=O)N(C)C)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O4S/c1-19-10-11-21(16-22(19)33(31,32)25-17-20-8-5-4-6-9-20)24(30)28-13-7-12-27(14-15-28)18-23(29)26(2)3/h4-6,8-11,16,25H,7,12-15,17-18H2,1-3H3/p+1