N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

InChI

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