3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid

Systemtic Name: 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid Openeye Name: 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanoic acid IUPAC Name: 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)O

InChI

InChI=1S/C16H21N3O4S/c1-18-14-6-5-12(24(22,23)19-9-3-2-4-10-19)11-13(14)17-15(18)7-8-16(20)21/h5-6,11H,2-4,7-10H2,1H3,(H,20,21)