methyl 4-[[4-chloranyl-3-[phenyl(prop-2-enyl)sulfamoyl]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-chloranyl-3-[phenyl(prop-2-enyl)sulfamoyl]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-[allyl(phenyl)sulfamoyl]-4-chloro-benzoyl]amino]butanoate CAS Name: 4-[[[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]amino]butanoate Traditional Name: 4-[[3-[allyl(phenyl)sulfamoyl]-4-chloro-benzoyl]amino]butyric acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC=C)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC=C)C2=CC=CC=C2

InChI

InChI=1S/C21H23ClN2O5S/c1-3-14-24(17-8-5-4-6-9-17)30(27,28)19-15-16(11-12-18(19)22)21(26)23-13-7-10-20(25)29-2/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3,(H,23,26)