3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(1,3-benzodioxol-5-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(1,3-benzodioxol-5-ylmethyl)-3H-isoindol-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(1,3-benzodioxol-5-ylmethyl)isoindolin-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-2-(1,3-benzodioxol-5-ylmethyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(1,3-benzodioxol-5-ylmethyl)-3H-isoindol-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-piperonyl-isoindolin-1-one Formula: C28H29N3O5S MolecularWeight: 519.61196

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H29N3O5S/c32-28-24-8-4-3-7-23(24)27(31(28)18-20-9-14-25-26(17-20)36-19-35-25)29-21-10-12-22(13-11-21)37(33,34)30-15-5-1-2-6-16-30/h3-4,7-14,17,27,29H,1-2,5-6,15-16,18-19H2