2-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid Openeye Name: 2-[3-pyridylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[3-pyridinylmethyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]methyl]benzoic acid IUPAC Name: 2-[pyridin-3-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid Traditional Name: 2-[3-pyridylmethyl(2-pyrrolidinosulfonylethyl)carbamoyl]benzoic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23N3O5S/c24-19(17-7-1-2-8-18(17)20(25)26)22(15-16-6-5-9-21-14-16)12-13-29(27,28)23-10-3-4-11-23/h1-2,5-9,14H,3-4,10-13,15H2,(H,25,26)