(E)-2-[4-(2-chlorophenyl)sulfonyl-1-(2-dimethylaminoethylcarbamoyl)piperidin-4-yl]but-2-enedioate

Systemtic Name: (E)-2-[4-(2-chlorophenyl)sulfonyl-1-(2-dimethylaminoethylcarbamoyl)piperidin-4-yl]but-2-enedioate Openeye Name: (E)-2-[4-(2-chlorophenyl)sulfonyl-1-(2-dimethylaminoethylcarbamoyl)-4-piperidyl]but-2-enedioate CAS Name: (E)-2-[4-(2-chlorophenyl)sulfonyl-1-[(2-dimethylaminoethylamino)-oxomethyl]-4-piperidinyl]-2-butenedioate IUPAC Name: (E)-2-[4-(2-chlorophenyl)sulfonyl-1-(2-dimethylaminoethylcarbamoyl)piperidin-4-yl]but-2-enedioate Traditional Name: (E)-2-[4-(2-chlorophenyl)sulfonyl-1-(2-dimethylaminoethylcarbamoyl)-4-piperidyl]but-2-enedioate Formula: C20H24ClN3O7S-2 MolecularWeight: 485.93846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)N1CCC(CC1)(C(=CC(=O)[O-])C(=O)[O-])S(=O)(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CN(C)CCNC(=O)N1CCC(CC1)(/C(=C/C(=O)[O-])/C(=O)[O-])S(=O)(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H26ClN3O7S/c1-23(2)12-9-22-19(29)24-10-7-20(8-11-24,14(18(27)28)13-17(25)26)32(30,31)16-6-4-3-5-15(16)21/h3-6,13H,7-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/p-2/b14-13+