(6-ethoxypyridin-3-yl) N-[1-[1-(4-bromophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamate

Systemtic Name: (6-ethoxypyridin-3-yl) N-[1-[1-(4-bromophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamate Openeye Name: (6-ethoxy-3-pyridyl) N-[1-[1-(4-bromophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[1-(4-bromophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamic acid (6-ethoxy-3-pyridinyl) ester IUPAC Name: (6-ethoxypyridin-3-yl) N-[1-[1-(4-bromophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamate Traditional Name: N-[1-[1-(4-bromophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamic acid (6-ethoxy-3-pyridyl) ester Formula: C21H27BrN2O5S MolecularWeight: 499.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)OC(=O)NC(CS(=O)(=O)C(C)C2=CC=C(C=C2)Br)C(C)C

Isomeric SMILES

CCOC1=NC=C(C=C1)OC(=O)NC(CS(=O)(=O)C(C)C2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C21H27BrN2O5S/c1-5-28-20-11-10-18(12-23-20)29-21(25)24-19(14(2)3)13-30(26,27)15(4)16-6-8-17(22)9-7-16/h6-12,14-15,19H,5,13H2,1-4H3,(H,24,25)