propan-2-yl 3-(4-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate

Systemtic Name: propan-2-yl 3-(4-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(4-methylsulfonylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[(4-methylsulfonylphenyl)-oxomethyl]-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylsulfonylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(4-mesylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCN2C(C=CC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)C1CCCN2C(C=CC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-14(2)27-21(24)16-5-4-12-22-17(13-16)8-11-19(22)20(23)15-6-9-18(10-7-15)28(3,25)26/h6-11,13-14,16,19H,4-5,12H2,1-3H3