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

Systemtic Name: 2-[2-morpholin-4-ylsulfonylethyl(pyridin-4-ylmethyl)carbamoyl]benzoic acid Openeye Name: 2-[2-morpholinosulfonylethyl(4-pyridylmethyl)carbamoyl]benzoic acid CAS Name: 2-[[2-(4-morpholinylsulfonyl)ethyl-(pyridin-4-ylmethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-morpholin-4-ylsulfonylethyl(pyridin-4-ylmethyl)carbamoyl]benzoic acid Traditional Name: 2-[2-morpholinosulfonylethyl(4-pyridylmethyl)carbamoyl]benzoic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23N3O6S/c24-19(17-3-1-2-4-18(17)20(25)26)22(15-16-5-7-21-8-6-16)11-14-30(27,28)23-9-12-29-13-10-23/h1-8H,9-15H2,(H,25,26)