2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Openeye Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole CAS Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonyl-2-pyrrolidinyl]-1H-benzimidazole IUPAC Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Traditional Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)OCC

InChI

InChI=1S/C21H25N3O4S/c1-3-27-19-12-11-15(14-20(19)28-4-2)29(25,26)24-13-7-10-18(24)21-22-16-8-5-6-9-17(16)23-21/h5-6,8-9,11-12,14,18H,3-4,7,10,13H2,1-2H3,(H,22,23)/t18-/m0/s1