(E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-(4-nitrophenyl)acrylamide Formula: C25H32N5O6S+ MolecularWeight: 530.61648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O6S/c1-2-27-11-13-28(14-12-27)24-9-8-22(37(34,35)29-15-17-36-18-16-29)19-23(24)26-25(31)10-5-20-3-6-21(7-4-20)30(32)33/h3-10,19H,2,11-18H2,1H3,(H,26,31)/p+1/b10-5+