methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-2-methyl-propanoate CAS Name: 2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-2-methylpropanoate Traditional Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-2-methyl-propionic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-20(2,19(24)27-3)21-18(23)13-10-16-8-11-17(12-9-16)28(25,26)22-14-6-4-5-7-15-22/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,21,23)