N-[3-(1-adamantyloxy)propyl]-4-methoxy-3-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: N-[3-(1-adamantyloxy)propyl]-4-methoxy-3-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: N-[3-(1-adamantyloxy)propyl]-4-methoxy-3-(tetrazol-1-yl)benzenesulfonamide CAS Name: N-[3-(1-adamantyloxy)propyl]-4-methoxy-3-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-[3-(1-adamantyloxy)propyl]-4-methoxy-3-(tetrazol-1-yl)benzenesulfonamide Traditional Name: N-[3-(1-adamantyloxy)propyl]-4-methoxy-3-(tetrazol-1-yl)benzenesulfonamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCCOC23CC4CC(C2)CC(C4)C3)N5C=NN=N5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCCOC23CC4CC(C2)CC(C4)C3)N5C=NN=N5

InChI

InChI=1S/C21H29N5O4S/c1-29-20-4-3-18(10-19(20)26-14-22-24-25-26)31(27,28)23-5-2-6-30-21-11-15-7-16(12-21)9-17(8-15)13-21/h3-4,10,14-17,23H,2,5-9,11-13H2,1H3