(phenylmethyl) N-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-(azepane-1-carbonyl)-3-methylsulfonyl-propyl]carbamate CAS Name: N-[1-(1-azepanyl)-4-methylsulfonyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-(azepane-1-carbonyl)-3-mesyl-propyl]carbamic acid benzyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O5S/c1-27(24,25)14-11-17(18(22)21-12-7-2-3-8-13-21)20-19(23)26-15-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,20,23)