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

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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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+]2CCCC2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH+]2CCCC2)C

InChI

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