methyl 4-methylbenzoate; N-methylsulfonylmethanesulfonamide

Systemtic Name: methyl 4-methylbenzoate; N-methylsulfonylmethanesulfonamide Openeye Name: methyl 4-methylbenzoate; N-methylsulfonylmethanesulfonamide CAS Name: 4-methylbenzoic acid methyl ester; N-methylsulfonylmethanesulfonamide IUPAC Name: methyl 4-methylbenzoate; N-methylsulfonylmethanesulfonamide Traditional Name: N-mesylmethanesulfonamide; 4-methylbenzoic acid methyl ester Formula: C11H17NO6S2 MolecularWeight: 323.38578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC.CS(=O)(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC.CS(=O)(=O)NS(=O)(=O)C

InChI

InChI=1S/C9H10O2.C2H7NO4S2/c1-7-3-5-8(6-4-7)9(10)11-2;1-8(4,5)3-9(2,6)7/h3-6H,1-2H3;3H,1-2H3