(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C18H29N3O3S/c1-14-9-10-16(25(23,24)20(3)4)13-17(14)19-18(22)15(2)21-11-7-5-6-8-12-21/h9-10,13,15H,5-8,11-12H2,1-4H3,(H,19,22)/p+1/t15-/m0/s1