(2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-1-methylsulfonyl-indoline-5-carboxamide CAS Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]indoline-5-carboxamide Formula: C21H25N4O5S2+ MolecularWeight: 477.577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H24N4O5S2/c1-14-11-16-12-15(8-9-19(16)25(14)31(2,27)28)21(26)23-17-5-3-6-18(13-17)32(29,30)24-20-7-4-10-22-20/h3,5-6,8-9,12-14H,4,7,10-11H2,1-2H3,(H,22,24)(H,23,26)/p+1/t14-/m0/s1