2-[(5-chloranyl-2-cyano-phenyl)sulfonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(5-chloranyl-2-cyano-phenyl)sulfonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(5-chloro-2-cyano-phenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[(5-chloro-2-cyanophenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(5-chloro-2-cyanophenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(5-chloro-2-cyano-phenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1CC1CN(CC(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C13H13ClN2O4S/c14-11-4-3-10(6-15)12(5-11)21(19,20)16(8-13(17)18)7-9-1-2-9/h3-5,9H,1-2,7-8H2,(H,17,18)