methyl 3-acetamido-4-(phenylsulfonyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-acetamido-4-(phenylsulfonyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-acetamido-4-(benzenesulfonyl)cyclohex-3-ene-1-carboxylate CAS Name: 3-acetamido-4-(benzenesulfonyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(benzenesulfonyl)cyclohex-3-ene-1-carboxylate Traditional Name: 3-acetamido-4-besyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(CCC(C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(CCC(C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO5S/c1-11(18)17-14-10-12(16(19)22-2)8-9-15(14)23(20,21)13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,18)