2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[(3-bromo-4-methoxyphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(3-bromo-4-methoxy-phenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2CC2)CC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2CC2)CC(=O)O)Br

InChI

InChI=1S/C13H16BrNO5S/c1-20-12-5-4-10(6-11(12)14)21(18,19)15(8-13(16)17)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)