(E)-3-(3-pyrrolidin-1-ylsulfonylphenyl)but-2-enoate

Systemtic Name: (E)-3-(3-pyrrolidin-1-ylsulfonylphenyl)but-2-enoate Openeye Name: (E)-3-(3-pyrrolidin-1-ylsulfonylphenyl)but-2-enoate CAS Name: (E)-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-butenoate IUPAC Name: (E)-3-(3-pyrrolidin-1-ylsulfonylphenyl)but-2-enoate Traditional Name: (E)-3-(3-pyrrolidinosulfonylphenyl)but-2-enoate Formula: C14H16NO4S- MolecularWeight: 294.34614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C/C(=C\C(=O)[O-])/C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H17NO4S/c1-11(9-14(16)17)12-5-4-6-13(10-12)20(18,19)15-7-2-3-8-15/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17)/p-1/b11-9+