2-[(4-cyanophenyl)methylsulfonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methylsulfonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(4-cyanophenyl)methylsulfonyl-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[(4-cyanophenyl)methylsulfonyl-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(4-cyanophenyl)methylsulfonyl-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(4-cyanobenzyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC1CN(CC(=O)O)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N2O4S/c15-7-11-1-5-13(6-2-11)10-21(19,20)16(9-14(17)18)8-12-3-4-12/h1-2,5-6,12H,3-4,8-10H2,(H,17,18)