methyl 4-[4-[5,5-dimethyl-1-(phenylsulfonylamino)hexyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[5,5-dimethyl-1-(phenylsulfonylamino)hexyl]phenyl]butanoate Openeye Name: methyl 4-[4-[1-(benzenesulfonamido)-5,5-dimethyl-hexyl]phenyl]butanoate CAS Name: 4-[4-[1-(benzenesulfonamido)-5,5-dimethylhexyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[1-(benzenesulfonamido)-5,5-dimethylhexyl]phenyl]butanoate Traditional Name: 4-[4-[1-(benzenesulfonamido)-5,5-dimethyl-hexyl]phenyl]butyric acid methyl ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(C1=CC=C(C=C1)CCCC(=O)OC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CCCC(C1=CC=C(C=C1)CCCC(=O)OC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H35NO4S/c1-25(2,3)19-9-13-23(26-31(28,29)22-11-6-5-7-12-22)21-17-15-20(16-18-21)10-8-14-24(27)30-4/h5-7,11-12,15-18,23,26H,8-10,13-14,19H2,1-4H3