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

Systemtic Name: N-[(4-chlorophenyl)-(7-oxidanylidenecyclohepten-1-yl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(4-chlorophenyl)-(7-oxocyclohepten-1-yl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[(4-chlorophenyl)-(7-oxo-1-cycloheptenyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(4-chlorophenyl)-(7-oxocyclohepten-1-yl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[(4-chlorophenyl)-(7-ketocyclohepten-1-yl)methyl]-4-methyl-benzenesulfonamide Formula: C21H22ClNO3S MolecularWeight: 403.92228

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO3S/c1-15-7-13-18(14-8-15)27(25,26)23-21(16-9-11-17(22)12-10-16)19-5-3-2-4-6-20(19)24/h5,7-14,21,23H,2-4,6H2,1H3