[4-(phenylmethyl)-2-sulfanyl-phenyl] N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: [4-(phenylmethyl)-2-sulfanyl-phenyl] N-(4-methylphenyl)sulfonylcarbamate Openeye Name: (4-benzyl-2-sulfanyl-phenyl) N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid [2-mercapto-4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzyl-2-sulfanylphenyl) N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid (4-benzyl-2-mercapto-phenyl) ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2=C(C=C(C=C2)CC3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2=C(C=C(C=C2)CC3=CC=CC=C3)S

InChI

InChI=1S/C21H19NO4S2/c1-15-7-10-18(11-8-15)28(24,25)22-21(23)26-19-12-9-17(14-20(19)27)13-16-5-3-2-4-6-16/h2-12,14,27H,13H2,1H3,(H,22,23)