N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: N-(isochroman-1-ylmethyl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-3-methoxy-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: N-(isochroman-1-ylmethyl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)NCC2C3=CC=CC=C3CCO2)N4C=NN=N4

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)NCC2C3=CC=CC=C3CCO2)N4C=NN=N4

InChI

InChI=1S/C18H19N5O4S/c1-26-17-10-14(6-7-16(17)23-12-19-21-22-23)28(24,25)20-11-18-15-5-3-2-4-13(15)8-9-27-18/h2-7,10,12,18,20H,8-9,11H2,1H3