3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(furan-2-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(furan-2-ylmethyl)-3H-isoindol-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(2-furylmethyl)isoindolin-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-2-(2-furanylmethyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(furan-2-ylmethyl)-3H-isoindol-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(2-furfuryl)isoindolin-1-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C25H27N3O4S/c29-25-23-10-4-3-9-22(23)24(28(25)18-20-8-7-17-32-20)26-19-11-13-21(14-12-19)33(30,31)27-15-5-1-2-6-16-27/h3-4,7-14,17,24,26H,1-2,5-6,15-16,18H2