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

Systemtic Name: (phenylmethyl) N-[1-[(3,4-dimethylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-[(3,4-dimethylphenyl)carbamoyl]-3-methylsulfonyl-propyl]carbamate CAS Name: N-[1-(3,4-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3,4-dimethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[(3,4-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=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

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