2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Openeye Name: 2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole CAS Name: 2-[(2S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2-pyrrolidinyl]-1H-benzimidazole IUPAC Name: 2-[(2S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Traditional Name: 2-[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-12-10-14(23(24)25)11-18(13(12)2)28(26,27)22-9-5-8-17(22)19-20-15-6-3-4-7-16(15)21-19/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3,(H,20,21)/t17-/m0/s1