2-[(2S)-1-(2-methyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[(2S)-1-(2-methyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Openeye Name: 2-[(2S)-1-(2-methyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole CAS Name: 2-[(2S)-1-(2-methyl-5-nitrophenyl)sulfonyl-2-pyrrolidinyl]-1H-benzimidazole IUPAC Name: 2-[(2S)-1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Traditional Name: 2-[(2S)-1-(2-methyl-5-nitro-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4O4S/c1-12-8-9-13(22(23)24)11-17(12)27(25,26)21-10-4-7-16(21)18-19-14-5-2-3-6-15(14)20-18/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20)/t16-/m0/s1