(2S)-2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propionamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)[NH+]2CCCCCC2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-15-18(12-11-16(19)3)21-20(24)17(4)22-13-9-7-8-10-14-22/h11-12,15,17H,5-10,13-14H2,1-4H3,(H,21,24)/p+1/t17-/m0/s1