(E)-3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)but-2-enoate

Systemtic Name: (E)-3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)but-2-enoate Openeye Name: (E)-3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)but-2-enoate CAS Name: (E)-3-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-2-butenoate IUPAC Name: (E)-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)but-2-enoate Traditional Name: (E)-3-(4-methyl-3-pyrrolidinosulfonyl-phenyl)but-2-enoate Formula: C15H18NO4S- MolecularWeight: 308.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=CC(=O)[O-])C)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C/C(=O)[O-])/C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H19NO4S/c1-11-5-6-13(12(2)9-15(17)18)10-14(11)21(19,20)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)/p-1/b12-9+