methyl 3-[isocyano-(4-methylphenyl)sulfonyl-methyl]benzoate

Systemtic Name: methyl 3-[isocyano-(4-methylphenyl)sulfonyl-methyl]benzoate Openeye Name: methyl 3-[isocyano(p-tolylsulfonyl)methyl]benzoate CAS Name: 3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 3-[isocyano(tosyl)methyl]benzoic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC(=C2)C(=O)OC)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC(=C2)C(=O)OC)[N+]#[C-]

InChI

InChI=1S/C17H15NO4S/c1-12-7-9-15(10-8-12)23(20,21)16(18-2)13-5-4-6-14(11-13)17(19)22-3/h4-11,16H,1,3H3