[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H34N2O5S/c1-4-22(2,3)23-20(25)17-29-21(26)14-11-18-9-12-19(13-10-18)30(27,28)24-15-7-5-6-8-16-24/h9-10,12-13H,4-8,11,14-17H2,1-3H3,(H,23,25)