N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-9-10-20(14-17(16)2)27(25,26)22-12-5-8-21(24)23-13-11-18-6-3-4-7-19(18)15-23/h3-4,6-7,9-10,14,22H,5,8,11-13,15H2,1-2H3