2-[2-(methylamino)-1-pyrrolidin-1-ylsulfonyl-benzimidazol-5-yl]propanoic acid

Systemtic Name: 2-[2-(methylamino)-1-pyrrolidin-1-ylsulfonyl-benzimidazol-5-yl]propanoic acid Openeye Name: 2-[2-(methylamino)-1-pyrrolidin-1-ylsulfonyl-benzimidazol-5-yl]propanoic acid CAS Name: 2-[2-(methylamino)-1-(1-pyrrolidinylsulfonyl)-5-benzimidazolyl]propanoic acid IUPAC Name: 2-[2-(methylamino)-1-pyrrolidin-1-ylsulfonylbenzimidazol-5-yl]propanoic acid Traditional Name: 2-[2-(methylamino)-1-pyrrolidinosulfonyl-benzimidazol-5-yl]propionic acid Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N(C(=N2)NC)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N(C(=N2)NC)S(=O)(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C15H20N4O4S/c1-10(14(20)21)11-5-6-13-12(9-11)17-15(16-2)19(13)24(22,23)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)(H,20,21)