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

Systemtic Name: 2-[2-piperidin-1-ylsulfonylethyl(pyridin-4-ylmethyl)carbamoyl]benzoic acid Openeye Name: 2-[2-(1-piperidylsulfonyl)ethyl-(4-pyridylmethyl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[2-(1-piperidinylsulfonyl)ethyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid IUPAC Name: 2-[2-piperidin-1-ylsulfonylethyl(pyridin-4-ylmethyl)carbamoyl]benzoic acid Traditional Name: 2-[2-piperidinosulfonylethyl(4-pyridylmethyl)carbamoyl]benzoic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H25N3O5S/c25-20(18-6-2-3-7-19(18)21(26)27)23(16-17-8-10-22-11-9-17)14-15-30(28,29)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-16H2,(H,26,27)