4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3O3S/c1-16-13-22(17(2)26(16)20-7-9-21(10-8-20)30(24,28)29)23(27)15-25-12-11-18-5-3-4-6-19(18)14-25/h3-10,13H,11-12,14-15H2,1-2H3,(H2,24,28,29)