N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C17H29N4O5S2+ MolecularWeight: 433.56596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H28N4O5S2/c1-14-6-7-15(12-16(14)28(25,26)19(2)3)18-17(22)13-20-8-5-9-21(11-10-20)27(4,23)24/h6-7,12H,5,8-11,13H2,1-4H3,(H,18,22)/p+1