phenyl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamate

Systemtic Name: phenyl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamate Openeye Name: phenyl N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamate Traditional Name: N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamic acid phenyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)C(C)C1=CC=C(C=C1)C#N)NC(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CS(=O)(=O)C(C)C1=CC=C(C=C1)C#N)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-15(2)20(23-21(24)27-19-7-5-4-6-8-19)14-28(25,26)16(3)18-11-9-17(13-22)10-12-18/h4-12,15-16,20H,14H2,1-3H3,(H,23,24)