(E)-4-[2-(2-dimethylaminoethyloxy)phenyl]sulfonyloxy-4-oxidanylidene-but-2-enoic acid; pentan-2-amine

Systemtic Name: (E)-4-[2-(2-dimethylaminoethyloxy)phenyl]sulfonyloxy-4-oxidanylidene-but-2-enoic acid; pentan-2-amine Openeye Name: (E)-4-[2-(2-dimethylaminoethyloxy)phenyl]sulfonyloxy-4-oxo-but-2-enoic acid; pentan-2-amine CAS Name: (E)-4-[2-(2-dimethylaminoethyloxy)phenyl]sulfonyloxy-4-oxo-2-butenoic acid; 2-pentanamine IUPAC Name: (E)-4-[2-(2-dimethylaminoethyloxy)phenyl]sulfonyloxy-4-oxobut-2-enoic acid; pentan-2-amine Traditional Name: (E)-4-[2-(2-dimethylaminoethyloxy)phenyl]sulfonyloxy-4-keto-but-2-enoic acid; 1-methylbutylamine Formula: C19H30N2O7S MolecularWeight: 430.5157

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N.CN(C)CCOC1=CC=CC=C1S(=O)(=O)OC(=O)C=CC(=O)O

Isomeric SMILES

CCCC(C)N.CN(C)CCOC1=CC=CC=C1S(=O)(=O)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO7S.C5H13N/c1-15(2)9-10-21-11-5-3-4-6-12(11)23(19,20)22-14(18)8-7-13(16)17;1-3-4-5(2)6/h3-8H,9-10H2,1-2H3,(H,16,17);5H,3-4,6H2,1-2H3/b8-7+;