propan-2-yl 4-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25N3O6S2/c1-15(2)30-21(26)16-3-5-17(6-4-16)23-19(25)14-31-20-8-7-18(13-22-20)32(27,28)24-9-11-29-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)