[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H33N3O6S/c1-16(2)23-22(28)24-21(27)17(3)31-20(26)13-10-18-8-11-19(12-9-18)32(29,30)25-14-6-4-5-7-15-25/h8-9,11-12,16-17H,4-7,10,13-15H2,1-3H3,(H2,23,24,27,28)