N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide

Systemtic Name: N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Openeye Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide CAS Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide IUPAC Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Traditional Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(4-mesyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C17H28ClN4O5S2+ MolecularWeight: 468.01102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H27ClN4O5S2/c1-20(2)29(26,27)14-5-6-15(18)16(13-14)19-17(23)7-10-21-8-4-9-22(12-11-21)28(3,24)25/h5-6,13H,4,7-12H2,1-3H3,(H,19,23)/p+1