(7E,11E)-3,3-dimethyl-6-methylidene-4-(4-methylphenyl)sulfonyl-1-oxa-4-azacyclotrideca-7,11-dien-2-one

Systemtic Name: (7E,11E)-3,3-dimethyl-6-methylidene-4-(4-methylphenyl)sulfonyl-1-oxa-4-azacyclotrideca-7,11-dien-2-one Openeye Name: (7E,11E)-3,3-dimethyl-6-methylene-4-(p-tolylsulfonyl)-1-oxa-4-azacyclotrideca-7,11-dien-2-one CAS Name: (7E,11E)-3,3-dimethyl-6-methylene-4-(4-methylphenyl)sulfonyl-1-oxa-4-azacyclotrideca-7,11-dien-2-one IUPAC Name: (7E,11E)-3,3-dimethyl-6-methylidene-4-(4-methylphenyl)sulfonyl-1-oxa-4-azacyclotrideca-7,11-dien-2-one Traditional Name: (7E,11E)-3,3-dimethyl-6-methylene-4-tosyl-1-oxa-4-azacyclotrideca-7,11-dien-2-one Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)C=CCCC=CCOC(=O)C2(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)/C=C/CC/C=C/COC(=O)C2(C)C

InChI

InChI=1S/C21H27NO4S/c1-17-11-13-19(14-12-17)27(24,25)22-16-18(2)10-8-6-5-7-9-15-26-20(23)21(22,3)4/h7-14H,2,5-6,15-16H2,1,3-4H3/b9-7+,10-8+