(phenylmethyl) N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]carbamate

Systemtic Name: (phenylmethyl) N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]carbamate Openeye Name: benzyl N-[(3-nitrophenyl)-(p-tolylsulfonyl)methyl]carbamate CAS Name: N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]carbamate Traditional Name: N-[(3-nitrophenyl)-tosyl-methyl]carbamic acid benzyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/c1-16-10-12-20(13-11-16)31(28,29)21(18-8-5-9-19(14-18)24(26)27)23-22(25)30-15-17-6-3-2-4-7-17/h2-14,21H,15H2,1H3,(H,23,25)