methyl 2-methyl-3-(phenylsulfonyl)cycloheptene-1-carboxylate

Systemtic Name: methyl 2-methyl-3-(phenylsulfonyl)cycloheptene-1-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-2-methyl-cycloheptene-1-carboxylate CAS Name: 3-(benzenesulfonyl)-2-methyl-1-cycloheptenecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-2-methylcycloheptene-1-carboxylate Traditional Name: 3-besyl-2-methyl-cycloheptene-1-carboxylic acid methyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCCC1S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(CCCCC1S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20O4S/c1-12-14(16(17)20-2)10-6-7-11-15(12)21(18,19)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-11H2,1-2H3