[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O5S/c22-16-5-8-18-19(13-16)25(11-12-26)20(23-18)14-30-21(27)15-3-6-17(7-4-15)31(28,29)24-9-1-2-10-24/h3-8,13,26H,1-2,9-12,14H2