ethyl 4-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]butanoate

Systemtic Name: ethyl 4-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]butanoate Openeye Name: ethyl 4-[3,4-dimethoxy-N-(p-tolylsulfonyl)anilino]butanoate CAS Name: 4-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoate Traditional Name: 4-(3,4-dimethoxy-N-tosyl-anilino)butyric acid ethyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCCN(C1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27NO6S/c1-5-28-21(23)7-6-14-22(17-10-13-19(26-3)20(15-17)27-4)29(24,25)18-11-8-16(2)9-12-18/h8-13,15H,5-7,14H2,1-4H3