(2S)-N-(3-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-(3-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-(3-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-(3-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-(3-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-(3-sulfamoylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O3S/c1-13(21-10-9-14-5-2-3-6-15(14)12-21)18(22)20-16-7-4-8-17(11-16)25(19,23)24/h2-8,11,13H,9-10,12H2,1H3,(H,20,22)(H2,19,23,24)/p+1/t13-/m0/s1