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3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3H-2-benzofuran-1-one

3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3H-2-benzofuran-1-one

Systemtic Name:3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3H-2-benzofuran-1-one
Openeye Name:3-[4-(azepan-1-ylsulfonyl)anilino]-3H-isobenzofuran-1-one
CAS Name:3-[4-(1-azepanylsulfonyl)anilino]-3H-isobenzofuran-1-one
IUPAC Name:3-[4-(azepan-1-ylsulfonyl)anilino]-3H-2-benzofuran-1-one
Traditional Name:3-[4-(azepan-1-ylsulfonyl)anilino]phthalide
Formula: C20H22N2O4S
MolecularWeight: 386.46468
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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)O3


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)O3


InChI

InChI=1S/C20H22N2O4S/c23-20-18-8-4-3-7-17(18)19(26-20)21-15-9-11-16(12-10-15)27(24,25)22-13-5-1-2-6-14-22/h3-4,7-12,19,21H,1-2,5-6,13-14H2


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