(3S)-1-[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H24N4O4S/c1-19(2)25(23,24)14-7-5-13(6-8-14)18-15(21)11-20-9-3-4-12(10-20)16(17)22/h5-8,12H,3-4,9-11H2,1-2H3,(H2,17,22)(H,18,21)/p+1/t12-/m0/s1