2-[2-(phenylsulfonyl)piperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate

Systemtic Name: 2-[2-(phenylsulfonyl)piperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate Openeye Name: 2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 2-[2-(benzenesulfonyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 2-(2-besylpiperazino)ethyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCN1CCNCC1S(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C\C(=O)OCCN1CCNCC1S(=O)(=O)C2=CC=CC=C2)/N

InChI

InChI=1S/C16H23N3O4S/c1-13(17)11-16(20)23-10-9-19-8-7-18-12-15(19)24(21,22)14-5-3-2-4-6-14/h2-6,11,15,18H,7-10,12,17H2,1H3/b13-11+