ethyl 4-[(4-methylphenyl)sulfonyl-pent-4-enyl-amino]benzoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-pent-4-enyl-amino]benzoate Openeye Name: ethyl 4-[pent-4-enyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[(4-methylphenyl)sulfonyl-pent-4-enylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-pent-4-enylamino]benzoate Traditional Name: 4-[pent-4-enyl(tosyl)amino]benzoic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCC=C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCCC=C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO4S/c1-4-6-7-16-22(27(24,25)20-14-8-17(3)9-15-20)19-12-10-18(11-13-19)21(23)26-5-2/h4,8-15H,1,5-7,16H2,2-3H3