methyl 3-[[4-(2-chloroethyl)phenyl]sulfonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[4-(2-chloroethyl)phenyl]sulfonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[4-(2-chloroethyl)phenyl]sulfonylanilino)propanoate CAS Name: 3-(N-[4-(2-chloroethyl)phenyl]sulfonylanilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[4-(2-chloroethyl)phenyl]sulfonylanilino)propanoate Traditional Name: 3-(N-[4-(2-chloroethyl)phenyl]sulfonylanilino)propionic acid methyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)CCCl

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)CCCl

InChI

InChI=1S/C18H20ClNO4S/c1-24-18(21)12-14-20(16-5-3-2-4-6-16)25(22,23)17-9-7-15(8-10-17)11-13-19/h2-10H,11-14H2,1H3