ethyl 1-ethyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[1-(2-thienylsulfonyl)-4-piperidyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-(1-thiophen-2-ylsulfonyl-4-piperidinyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[1-(2-thienylsulfonyl)-4-piperidyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c1-3-24-18-8-7-16(21(25)28-4-2)14-17(18)22-20(24)15-9-11-23(12-10-15)30(26,27)19-6-5-13-29-19/h5-8,13-15H,3-4,9-12H2,1-2H3