4-(3,4-dimethoxyphenyl)-7-methylidene-5-(4-methylphenyl)sulfonyl-5-azaspiro[2.4]heptane

Systemtic Name: 4-(3,4-dimethoxyphenyl)-7-methylidene-5-(4-methylphenyl)sulfonyl-5-azaspiro[2.4]heptane Openeye Name: 4-(3,4-dimethoxyphenyl)-7-methylene-5-(p-tolylsulfonyl)-5-azaspiro[2.4]heptane CAS Name: 4-(3,4-dimethoxyphenyl)-7-methylene-5-(4-methylphenyl)sulfonyl-5-azaspiro[2.4]heptane IUPAC Name: 4-(3,4-dimethoxyphenyl)-7-methylidene-5-(4-methylphenyl)sulfonyl-5-azaspiro[2.4]heptane Traditional Name: 4-(3,4-dimethoxyphenyl)-7-methylene-5-tosyl-5-azaspiro[2.4]heptane Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)C3(C2C4=CC(=C(C=C4)OC)OC)CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)C3(C2C4=CC(=C(C=C4)OC)OC)CC3

InChI

InChI=1S/C22H25NO4S/c1-15-5-8-18(9-6-15)28(24,25)23-14-16(2)22(11-12-22)21(23)17-7-10-19(26-3)20(13-17)27-4/h5-10,13,21H,2,11-12,14H2,1,3-4H3