4-(2-chloroethylsulfonyl)-2-phenylazanyl-butanoic acid

Systemtic Name: 4-(2-chloroethylsulfonyl)-2-phenylazanyl-butanoic acid Openeye Name: 2-anilino-4-(2-chloroethylsulfonyl)butanoic acid CAS Name: 2-anilino-4-(2-chloroethylsulfonyl)butanoic acid IUPAC Name: 2-anilino-4-(2-chloroethylsulfonyl)butanoic acid Traditional Name: 2-anilino-4-(2-chloroethylsulfonyl)butyric acid Formula: C12H16ClNO4S MolecularWeight: 305.77774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CCS(=O)(=O)CCCl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(CCS(=O)(=O)CCCl)C(=O)O

InChI

InChI=1S/C12H16ClNO4S/c13-7-9-19(17,18)8-6-11(12(15)16)14-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,16)