N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butanamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butanamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbutanamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butyramide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

InChI

InChI=1S/C20H23FN2O3S/c1-14(2)11-20(24)22-18-6-3-15-9-10-23(13-16(15)12-18)27(25,26)19-7-4-17(21)5-8-19/h3-8,12,14H,9-11,13H2,1-2H3,(H,22,24)