2-(5-chloranylpyridin-2-yl)-4-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-4-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-pyridyl)-4-[[4-(1-piperidylsulfonyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-pyridinyl)-4-[[4-(1-piperidinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloropyridin-2-yl)-4-[(4-piperidin-1-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-pyridyl)-4-[(4-piperidinosulfonylanilino)methylene]isoquinoline-1,3-quinone Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=NC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=NC=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN4O4S/c27-18-8-13-24(29-16-18)31-25(32)22-7-3-2-6-21(22)23(26(31)33)17-28-19-9-11-20(12-10-19)36(34,35)30-14-4-1-5-15-30/h2-3,6-13,16-17,28H,1,4-5,14-15H2