2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)N

Isomeric SMILES

C/C(=C\C(=O)OCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)/N

InChI

InChI=1S/C17H25N3O5S/c1-14(18)13-17(21)25-12-11-19-7-9-20(10-8-19)26(22,23)16-5-3-15(24-2)4-6-16/h3-6,13H,7-12,18H2,1-2H3/b14-13+