3-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]oxy-N-methyl-N-prop-2-enyl-propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]oxy-N-methyl-N-prop-2-enyl-propan-1-amine; (E)-but-2-enedioic acid Openeye Name: N-allyl-3-[[1-(4-bromophenyl)sulfonyl-4-piperidyl]oxy]-N-methyl-propan-1-amine; fumaric acid CAS Name: 3-[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]oxy]-N-methyl-N-prop-2-enyl-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]oxy-N-methyl-N-prop-2-enylpropan-1-amine; (E)-but-2-enedioic acid Traditional Name: allyl-[3-[(1-brosyl-4-piperidyl)oxy]propyl]-methyl-amine; fumaric acid Formula: C22H31BrN2O7S MolecularWeight: 547.45974

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)CC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCOC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)CC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H27BrN2O3S.C4H4O4/c1-3-11-20(2)12-4-15-24-17-9-13-21(14-10-17)25(22,23)18-7-5-16(19)6-8-18;5-3(6)1-2-4(7)8/h3,5-8,17H,1,4,9-15H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+