(phenylmethyl) (2S)-2-(azepan-1-ylsulfonylamino)-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-(azepan-1-ylsulfonylamino)-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-(azepan-1-ylsulfonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-(1-azepanylsulfonylamino)-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(azepan-1-ylsulfonylamino)-4-methyl-valeric acid benzyl ester Formula: C19H30N2O4S MolecularWeight: 382.5175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NS(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H30N2O4S/c1-16(2)14-18(19(22)25-15-17-10-6-5-7-11-17)20-26(23,24)21-12-8-3-4-9-13-21/h5-7,10-11,16,18,20H,3-4,8-9,12-15H2,1-2H3/t18-/m0/s1