N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,5-diethoxy-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,5-diethoxy-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: 2,5-diethoxy-N-[[(1S)-isochroman-1-yl]methyl]-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-2,5-diethoxy-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: 2,5-diethoxy-N-[[(1S)-isochroman-1-yl]methyl]-4-(tetrazol-1-yl)benzenesulfonamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)NC[C@@H]3C4=CC=CC=C4CCO3

InChI

InChI=1S/C21H25N5O5S/c1-3-29-18-12-21(19(30-4-2)11-17(18)26-14-22-24-25-26)32(27,28)23-13-20-16-8-6-5-7-15(16)9-10-31-20/h5-8,11-12,14,20,23H,3-4,9-10,13H2,1-2H3/t20-/m1/s1