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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl quinoline-2-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H26N4O4S/c1-2-29-23-13-11-19(34(31,32)28-14-6-3-7-15-28)16-22(23)27-24(29)17-33-25(30)21-12-10-18-8-4-5-9-20(18)26-21/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3