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

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-butyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-butyl]-4-methyl-benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O3S/c1-16(2)14-21(23-28(26,27)20-10-8-17(3)9-11-20)22(25)24-13-12-18-6-4-5-7-19(18)15-24/h4-11,16,21,23H,12-15H2,1-3H3/t21-/m0/s1