N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentyl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentyl]-4-methylbenzenesulfonamide Traditional Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-pentyl]-4-methyl-benzenesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O3S/c1-17-9-11-20(12-10-17)27(25,26)22-14-5-4-8-21(24)23-15-13-18-6-2-3-7-19(18)16-23/h2-3,6-7,9-12,22H,4-5,8,13-16H2,1H3