cyclohexane; 4-[2,6-dimethyl-4-(2H-1,2,3,4-tetrazol-5-ylamino)phenoxy]-2-methylsulfonyl-phenol

Systemtic Name: cyclohexane; 4-[2,6-dimethyl-4-(2H-1,2,3,4-tetrazol-5-ylamino)phenoxy]-2-methylsulfonyl-phenol Openeye Name: cyclohexane; 4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-methylsulfonyl-phenol CAS Name: cyclohexane; 4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-methylsulfonylphenol IUPAC Name: cyclohexane; 4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-methylsulfonylphenol Traditional Name: cyclohexane; 4-[2,6-dimethyl-4-(2H-tetrazol-5-ylamino)phenoxy]-2-mesyl-phenol Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C)C)NC3=NNN=N3.C1CCCCC1

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C)C)NC3=NNN=N3.C1CCCCC1

InChI

InChI=1S/C16H17N5O4S.C6H12/c1-9-6-11(17-16-18-20-21-19-16)7-10(2)15(9)25-12-4-5-13(22)14(8-12)26(3,23)24;1-2-4-6-5-3-1/h4-8,22H,1-3H3,(H2,17,18,19,20,21);1-6H2