methyl 4-(2-chloroethylsulfonyl)-2-phenylazanyl-butanoate

Systemtic Name: methyl 4-(2-chloroethylsulfonyl)-2-phenylazanyl-butanoate Openeye Name: methyl 2-anilino-4-(2-chloroethylsulfonyl)butanoate CAS Name: 2-anilino-4-(2-chloroethylsulfonyl)butanoic acid methyl ester IUPAC Name: methyl 2-anilino-4-(2-chloroethylsulfonyl)butanoate Traditional Name: 2-anilino-4-(2-chloroethylsulfonyl)butyric acid methyl ester Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)CCCl)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)CCCl)NC1=CC=CC=C1

InChI

InChI=1S/C13H18ClNO4S/c1-19-13(16)12(7-9-20(17,18)10-8-14)15-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3