2-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid Openeye Name: 2-[4-pyridylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[pyridin-4-ylmethyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]methyl]benzoic acid IUPAC Name: 2-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylsulfonylethyl)carbamoyl]benzoic acid Traditional Name: 2-[4-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=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

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

InChI

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