(2R)-2-acetamido-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2R)-2-acetamido-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide Openeye Name: (2R)-2-acetamido-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2R)-2-acetamido-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2R)-2-acetamido-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C23H26N5O4S+ MolecularWeight: 468.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C23H25N5O4S/c1-15(29)26-21(12-16-14-25-20-9-3-2-8-19(16)20)23(30)27-17-6-4-7-18(13-17)33(31,32)28-22-10-5-11-24-22/h2-4,6-9,13-14,21,25H,5,10-12H2,1H3,(H,24,28)(H,26,29)(H,27,30)/p+1/t21-/m1/s1