(phenylmethyl) N-[1-[(3,5-dimethylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(3,5-dimethylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-[(3,5-dimethylphenyl)carbamoyl]-3-methylsulfonyl-propyl]carbamate CAS Name: N-[1-(3,5-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3,5-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[(3,5-dimethylphenyl)carbamoyl]-3-mesyl-propyl]carbamic acid benzyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-15-11-16(2)13-18(12-15)22-20(24)19(9-10-29(3,26)27)23-21(25)28-14-17-7-5-4-6-8-17/h4-8,11-13,19H,9-10,14H2,1-3H3,(H,22,24)(H,23,25)