2-[4-[(6-chloranyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]-2-oxidanylidene-ethanesulfonamide

Systemtic Name: 2-[4-[(6-chloranyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]-2-oxidanylidene-ethanesulfonamide Openeye Name: 2-[4-(6-chloro-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]-2-oxo-ethanesulfonamide CAS Name: 2-[4-[[6-chloro-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]phenyl]-2-oxoethanesulfonamide IUPAC Name: 2-[4-(6-chloro-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]-2-oxoethanesulfonamide Traditional Name: 2-[4-(6-chloro-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)phenyl]-2-keto-ethanesulfonamide Formula: C27H23ClN2O5S MolecularWeight: 522.99992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)CS(=O)(=O)N)C=CC(=C2)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)CS(=O)(=O)N)C=CC(=C2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClN2O5S/c1-2-23(31)26-25(18-6-4-3-5-7-18)22-14-21(28)13-12-20(22)15-30(26)27(33)19-10-8-17(9-11-19)24(32)16-36(29,34)35/h3-14H,2,15-16H2,1H3,(H2,29,34,35)