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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]quinoline-8-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]quinoline-8-sulfonamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C=CC=C1C(CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H26N4O2S/c1-28-15-6-11-22(28)23(29-16-13-19-7-2-3-8-21(19)18-29)17-27-32(30,31)24-12-4-9-20-10-5-14-26-25(20)24/h2-12,14-15,23,27H,13,16-18H2,1H3