N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-4-morpholinosulfonyl-benzenesulfonamide Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H24N2O6S2/c23-29(24,21-15-20-19-4-2-1-3-16(19)9-12-28-20)17-5-7-18(8-6-17)30(25,26)22-10-13-27-14-11-22/h1-8,20-21H,9-15H2/t20-/m1/s1