methyl 1-[(3-methylsulfonylphenyl)sulfonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(3-methylsulfonylphenyl)sulfonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(3-methylsulfonylphenyl)sulfonylamino]cycloheptanecarboxylate CAS Name: 1-[(3-methylsulfonylphenyl)sulfonylamino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-methylsulfonylphenyl)sulfonylamino]cycloheptane-1-carboxylate Traditional Name: 1-[(3-mesylphenyl)sulfonylamino]cycloheptanecarboxylic acid methyl ester Formula: C16H23NO6S2 MolecularWeight: 389.48692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1(CCCCCC1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C16H23NO6S2/c1-23-15(18)16(10-5-3-4-6-11-16)17-25(21,22)14-9-7-8-13(12-14)24(2,19)20/h7-9,12,17H,3-6,10-11H2,1-2H3