N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N-[[(1R)-isochroman-1-yl]methyl]-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzenesulfonamide CAS Name: N-[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N-[[(1R)-isochroman-1-yl]methyl]-4-[(2S)-2-methylpiperidino]sulfonyl-benzenesulfonamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC[C@H]3C4=CC=CC=C4CCO3

InChI

InChI=1S/C22H28N2O5S2/c1-17-6-4-5-14-24(17)31(27,28)20-11-9-19(10-12-20)30(25,26)23-16-22-21-8-3-2-7-18(21)13-15-29-22/h2-3,7-12,17,22-23H,4-6,13-16H2,1H3/t17-,22-/m0/s1