methyl 1-[(4-ethanoylphenyl)sulfonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(4-ethanoylphenyl)sulfonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(4-acetylphenyl)sulfonylamino]cycloheptanecarboxylate CAS Name: 1-[(4-acetylphenyl)sulfonylamino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-acetylphenyl)sulfonylamino]cycloheptane-1-carboxylate Traditional Name: 1-[(4-acetylphenyl)sulfonylamino]cycloheptanecarboxylic acid methyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2(CCCCCC2)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2(CCCCCC2)C(=O)OC

InChI

InChI=1S/C17H23NO5S/c1-13(19)14-7-9-15(10-8-14)24(21,22)18-17(16(20)23-2)11-5-3-4-6-12-17/h7-10,18H,3-6,11-12H2,1-2H3