N-[(4-methoxyphenyl)-(7-oxidanylidenecyclohepten-1-yl)methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(4-methoxyphenyl)-(7-oxidanylidenecyclohepten-1-yl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(4-methoxyphenyl)-(7-oxocyclohepten-1-yl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[(4-methoxyphenyl)-(7-oxo-1-cycloheptenyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(4-methoxyphenyl)-(7-oxocyclohepten-1-yl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[(7-ketocyclohepten-1-yl)-(4-methoxyphenyl)methyl]-4-methyl-benzenesulfonamide Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CCCCCC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CCCCCC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25NO4S/c1-16-8-14-19(15-9-16)28(25,26)23-22(17-10-12-18(27-2)13-11-17)20-6-4-3-5-7-21(20)24/h6,8-15,22-23H,3-5,7H2,1-2H3