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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 2-[4-(4-chlorophenyl)sulfonylpiperazino]ethyl ester Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O4S/c1-13(18)12-16(21)24-11-10-19-6-8-20(9-7-19)25(22,23)15-4-2-14(17)3-5-15/h2-5,12H,6-11,18H2,1H3/b13-12+