(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C15H23N3O3S/c1-11-5-4-8-18(10-11)12(2)15(19)17-13-6-3-7-14(9-13)22(16,20)21/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1/t11-,12-/m0/s1