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(E)-but-2-enedioic acid; N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide

(E)-but-2-enedioic acid; N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide

Systemtic Name:(E)-but-2-enedioic acid; N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide
Openeye Name:N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide; fumaric acid
CAS Name:(E)-2-butenedioic acid; N-[2-(2,4-dimethyl-1-pyrrolidinyl)ethyl]-2-naphthalenesulfonamide
IUPAC Name:(E)-but-2-enedioic acid; N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide
Traditional Name:N-[2-(2,4-dimethylpyrrolidino)ethyl]naphthalene-2-sulfonamide; fumaric acid
Formula: C22H28N2O6S
MolecularWeight: 448.53252
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CC1CC(N(C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C18H24N2O2S.C4H4O4/c1-14-11-15(2)20(13-14)10-9-19-23(21,22)18-8-7-16-5-3-4-6-17(16)12-18;5-3(6)1-2-4(7)8/h3-8,12,14-15,19H,9-11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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