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

Systemtic Name: propan-2-yl 3-(4-propan-2-ylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(4-isopropylsulfonylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]-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-propan-2-ylsulfonylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(4-isopropylsulfonylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-15(2)29-23(26)18-6-5-13-24-19(14-18)9-12-21(24)22(25)17-7-10-20(11-8-17)30(27,28)16(3)4/h7-12,14-16,18,21H,5-6,13H2,1-4H3