1-(4-butoxyphenyl)sulfonyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one Openeye Name: 1-(4-butoxyphenyl)sulfonyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one CAS Name: 1-(4-butoxyphenyl)sulfonyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one IUPAC Name: 1-(4-butoxyphenyl)sulfonyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one Traditional Name: 1-(4-butoxyphenyl)sulfonyl-2,3,4,10b-tetrahydropyrimid[1,2-b]isoindol-6-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN3C2C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN3C2C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H24N2O4S/c1-2-3-15-27-16-9-11-17(12-10-16)28(25,26)23-14-6-13-22-20(23)18-7-4-5-8-19(18)21(22)24/h4-5,7-12,20H,2-3,6,13-15H2,1H3