N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-methyl-8-quinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylquinoline-8-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methyl-quinoline-8-sulfonamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CC=CN3C)N4CCC5=CC=CC=C5C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CC=CN3C)N4CCC5=CC=CC=C5C4)C=C1

InChI

InChI=1S/C26H28N4O2S/c1-19-12-13-21-9-5-11-25(26(21)28-19)33(31,32)27-17-24(23-10-6-15-29(23)2)30-16-14-20-7-3-4-8-22(20)18-30/h3-13,15,24,27H,14,16-18H2,1-2H3