2-[(6-chloranylnaphthalen-2-yl)sulfonyl-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]amino]ethanoic acid

Systemtic Name: 2-[(6-chloranylnaphthalen-2-yl)sulfonyl-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]amino]ethanoic acid Openeye Name: 2-[(6-chloro-2-naphthyl)sulfonyl-[(E)-4-methoxy-4-oxo-but-2-enyl]amino]acetic acid CAS Name: 2-[(6-chloro-2-naphthalenyl)sulfonyl-[(E)-4-methoxy-4-oxobut-2-enyl]amino]acetic acid IUPAC Name: 2-[(6-chloronaphthalen-2-yl)sulfonyl-[(E)-4-methoxy-4-oxobut-2-enyl]amino]acetic acid Traditional Name: 2-[(6-chloro-2-naphthyl)sulfonyl-[(E)-4-keto-4-methoxy-but-2-enyl]amino]acetic acid Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl

Isomeric SMILES

COC(=O)/C=C/CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl

InChI

InChI=1S/C17H16ClNO6S/c1-25-17(22)3-2-8-19(11-16(20)21)26(23,24)15-7-5-12-9-14(18)6-4-13(12)10-15/h2-7,9-10H,8,11H2,1H3,(H,20,21)/b3-2+