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

Systemtic Name: 3-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]amino]phthalide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C23H23N3O4S2/c27-22-19-8-4-3-7-18(19)21(30-22)25-23-24-20(15-31-23)16-9-11-17(12-10-16)32(28,29)26-13-5-1-2-6-14-26/h3-4,7-12,15,21H,1-2,5-6,13-14H2,(H,24,25)