O5-azanyl O1-tert-butyl (E)-2-(6-chloranylnaphthalen-2-yl)sulfonyl-3-methyl-pent-2-enedioate

Systemtic Name: O5-azanyl O1-tert-butyl (E)-2-(6-chloranylnaphthalen-2-yl)sulfonyl-3-methyl-pent-2-enedioate Openeye Name: O5-amino O1-tert-butyl (E)-2-[(6-chloro-2-naphthyl)sulfonyl]-3-methyl-pent-2-enedioate CAS Name: (E)-2-[(6-chloro-2-naphthalenyl)sulfonyl]-3-methyl-2-pentenedioic acid O5-amino ester O1-tert-butyl ester IUPAC Name: 5-O-amino 1-O-tert-butyl (E)-2-(6-chloronaphthalen-2-yl)sulfonyl-3-methylpent-2-enedioate Traditional Name: (E)-2-[(6-chloro-2-naphthyl)sulfonyl]-3-methyl-pent-2-enedioic acid O5-amino ester O1-tert-butyl ester Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)CC(=O)ON

Isomeric SMILES

C/C(=C(/C(=O)OC(C)(C)C)\S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)/CC(=O)ON

InChI

InChI=1S/C20H22ClNO6S/c1-12(9-17(23)28-22)18(19(24)27-20(2,3)4)29(25,26)16-8-6-13-10-15(21)7-5-14(13)11-16/h5-8,10-11H,9,22H2,1-4H3/b18-12+