ethyl (E)-3-[4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C21H26N3O5S2+ MolecularWeight: 464.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O5S2/c1-2-29-20(26)10-7-17-5-8-18(9-6-17)22-19(25)16-23-11-13-24(14-12-23)31(27,28)21-4-3-15-30-21/h3-10,15H,2,11-14,16H2,1H3,(H,22,25)/p+1/b10-7+