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

Systemtic Name: (3-methylphenyl) N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methyl-butan-2-yl]carbamate Openeye Name: m-tolyl N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) N-[1-[1-(4-cyanophenyl)ethylsulfonyl]-3-methylbutan-2-yl]carbamate Traditional Name: N-[1-[1-(4-cyanophenyl)ethylsulfonylmethyl]-2-methyl-propyl]carbamic acid m-tolyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)NC(CS(=O)(=O)C(C)C2=CC=C(C=C2)C#N)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)NC(CS(=O)(=O)C(C)C2=CC=C(C=C2)C#N)C(C)C

InChI

InChI=1S/C22H26N2O4S/c1-15(2)21(24-22(25)28-20-7-5-6-16(3)12-20)14-29(26,27)17(4)19-10-8-18(13-23)9-11-19/h5-12,15,17,21H,14H2,1-4H3,(H,24,25)