ethyl 5-[[4-(cyanomethyl)phenyl]-propan-2-ylsulfonyl-amino]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[[4-(cyanomethyl)phenyl]-propan-2-ylsulfonyl-amino]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[4-(cyanomethyl)-N-isopropylsulfonyl-anilino]-3-methyl-5-oxo-pentanoate CAS Name: 5-[4-(cyanomethyl)-N-propan-2-ylsulfonylanilino]-3-methyl-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(cyanomethyl)-N-propan-2-ylsulfonylanilino]-3-methyl-5-oxopentanoate Traditional Name: 5-[4-(cyanomethyl)-N-isopropylsulfonyl-anilino]-5-keto-3-methyl-valeric acid ethyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)CC(=O)N(C1=CC=C(C=C1)CC#N)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)CC(C)CC(=O)N(C1=CC=C(C=C1)CC#N)S(=O)(=O)C(C)C

InChI

InChI=1S/C19H26N2O5S/c1-5-26-19(23)13-15(4)12-18(22)21(27(24,25)14(2)3)17-8-6-16(7-9-17)10-11-20/h6-9,14-15H,5,10,12-13H2,1-4H3