3-[(4-methylsulfonyl-5-oxidanylidene-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)carbonyl]benzaldehyde

Systemtic Name: 3-[(4-methylsulfonyl-5-oxidanylidene-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)carbonyl]benzaldehyde Openeye Name: 3-(6-isopropyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl)benzaldehyde CAS Name: 3-[(4-methylsulfonyl-5-oxo-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-oxomethyl]benzaldehyde IUPAC Name: 3-(4-methylsulfonyl-5-oxo-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl)benzaldehyde Traditional Name: 3-(6-isopropyl-5-keto-4-mesyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl)benzaldehyde Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C(CCN2C(=O)C3=CC=CC(=C3)C=O)N(C1=O)S(=O)(=O)C

Isomeric SMILES

CC(C)C1C2C(CCN2C(=O)C3=CC=CC(=C3)C=O)N(C1=O)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O5S/c1-11(2)15-16-14(20(18(15)23)26(3,24)25)7-8-19(16)17(22)13-6-4-5-12(9-13)10-21/h4-6,9-11,14-16H,7-8H2,1-3H3