2-[(2-chloranyl-4-propan-2-ylsulfonyl-phenyl)methyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[(2-chloranyl-4-propan-2-ylsulfonyl-phenyl)methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[(2-chloro-4-isopropylsulfonyl-phenyl)methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[(2-chloro-4-propan-2-ylsulfonylphenyl)methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[(2-chloro-4-propan-2-ylsulfonylphenyl)methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(2-chloro-4-isopropylsulfonyl-benzyl)-4H-isoquinoline-1,3-quinone Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)CN2C(=O)CC3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)CN2C(=O)CC3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C19H18ClNO4S/c1-12(2)26(24,25)15-8-7-14(17(20)10-15)11-21-18(22)9-13-5-3-4-6-16(13)19(21)23/h3-8,10,12H,9,11H2,1-2H3