dimethyl 5-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6S/c1-29-20(25)13-10-14(21(26)30-2)12-15(11-13)31(27,28)24-9-5-8-18(24)19-22-16-6-3-4-7-17(16)23-19/h3-4,6-7,10-12,18H,5,8-9H2,1-2H3,(H,22,23)/t18-/m0/s1