[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N2O5S/c1-14(18(22)20-16-8-9-16)26-19(23)15-6-10-17(11-7-15)27(24,25)21-12-4-2-3-5-13-21/h6-7,10-11,14,16H,2-5,8-9,12-13H2,1H3,(H,20,22)/t14-/m1/s1