6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanylpentyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanylpentyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-chloro-3-(1-hydroxypentyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-chloro-3-(1-hydroxypentyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-3-(1-hydroxypentyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 6-chloro-3-(1-hydroxypentyl)-2-(4-mesylbenzyl)-4-phenyl-isocarbostyril Formula: C28H28ClNO4S MolecularWeight: 510.04422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4)O

Isomeric SMILES

CCCCC(C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4)O

InChI

InChI=1S/C28H28ClNO4S/c1-3-4-10-25(31)27-26(20-8-6-5-7-9-20)24-17-21(29)13-16-23(24)28(32)30(27)18-19-11-14-22(15-12-19)35(2,33)34/h5-9,11-17,25,31H,3-4,10,18H2,1-2H3