(2R)-2-(azepan-1-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-sulfamoylphenyl)propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+]2CCCCCC2

InChI

InChI=1S/C15H23N3O3S/c1-12(18-9-4-2-3-5-10-18)15(19)17-13-7-6-8-14(11-13)22(16,20)21/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)(H2,16,20,21)/p+1/t12-/m1/s1