(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 5-methylthiophene-2-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 5-methylthiophene-2-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=C(S4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=C(S4)C

InChI

InChI=1S/C21H25N3O4S2/c1-3-24-18-9-8-16(30(26,27)23-11-5-4-6-12-23)13-17(18)22-20(24)14-28-21(25)19-10-7-15(2)29-19/h7-10,13H,3-6,11-12,14H2,1-2H3