4-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(3-methylbutyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(3-methylbutyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-isopentyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methylbutyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methylbutyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-isoamyl-3-nitro-benzenesulfonamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN3O5S/c1-16(2)9-12-25(32(30,31)19-7-8-20(23)21(13-19)26(28)29)15-22(27)24-11-10-17-5-3-4-6-18(17)14-24/h3-8,13,16H,9-12,14-15H2,1-2H3