(2S)-2-methyl-1-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide

Systemtic Name: (2S)-2-methyl-1-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide Openeye Name: (2S)-1-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-2-methyl-indoline-5-sulfonamide CAS Name: (2S)-2-methyl-1-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide IUPAC Name: (2S)-1-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide Traditional Name: (2S)-1-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-2-methyl-indoline-5-sulfonamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1CC3=[N+](C=CN3)CC4=CC=CC=C4)C=CC(=C2)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CC2=C(N1CC3=[N+](C=CN3)CC4=CC=CC=C4)C=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C20H22N4O2S/c1-15-11-17-12-18(27(21,25)26)7-8-19(17)24(15)14-20-22-9-10-23(20)13-16-5-3-2-4-6-16/h2-10,12,15H,11,13-14H2,1H3,(H2,21,25,26)/p+1/t15-/m0/s1