N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-piperidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-piperidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(isochroman-1-ylmethyl)-4-(1-piperidylsulfonyl)benzenesulfonamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-4-(1-piperidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(isochroman-1-ylmethyl)-4-piperidinosulfonyl-benzenesulfonamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C21H26N2O5S2/c24-29(25,22-16-21-20-7-3-2-6-17(20)12-15-28-21)18-8-10-19(11-9-18)30(26,27)23-13-4-1-5-14-23/h2-3,6-11,21-22H,1,4-5,12-16H2