N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]naphthalene-2-sulfonamide

Systemtic Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]naphthalene-2-sulfonamide Openeye Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-naphthalenesulfonamide IUPAC Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]naphthalene-2-sulfonamide Traditional Name: N-butyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]naphthalene-2-sulfonamide Formula: C26H30N2O3S MolecularWeight: 450.593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N2O3S/c1-3-4-16-27(32(30,31)24-14-13-21-9-5-6-11-23(21)18-24)19-26(29)28-17-15-22-10-7-8-12-25(22)20(28)2/h5-14,18,20H,3-4,15-17,19H2,1-2H3