N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-ethoxybenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxybenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-ethoxy-benzenesulfonamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1S(=O)(=O)NCC(C2=CC=CN2C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=CC=C1S(=O)(=O)NCC(C2=CC=CN2C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O3S/c1-3-30-23-12-6-7-13-24(23)31(28,29)25-17-22(21-11-8-15-26(21)2)27-16-14-19-9-4-5-10-20(19)18-27/h4-13,15,22,25H,3,14,16-18H2,1-2H3