6'-(dibutylamino)-2'-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 6'-(dibutylamino)-2'-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 6'-(dibutylamino)-2'-(4-pyrrolidin-1-ylsulfonylanilino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 6'-(dibutylamino)-2'-[4-(1-pyrrolidinylsulfonyl)anilino]-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 6'-(dibutylamino)-2'-(4-pyrrolidin-1-ylsulfonylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 6'-(dibutylamino)-2'-(4-pyrrolidinosulfonylanilino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C38H41N3O5S MolecularWeight: 651.81424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=C(C=C6)S(=O)(=O)N7CCCC7

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=C(C=C6)S(=O)(=O)N7CCCC7

InChI

InChI=1S/C38H41N3O5S/c1-3-5-21-40(22-6-4-2)29-16-19-33-36(26-29)45-35-20-15-28(25-34(35)38(33)32-12-8-7-11-31(32)37(42)46-38)39-27-13-17-30(18-14-27)47(43,44)41-23-9-10-24-41/h7-8,11-20,25-26,39H,3-6,9-10,21-24H2,1-2H3