(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(4-morpholinosulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acrylamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c30-25(26-12-13-27-14-16-28(17-15-27)23-4-2-1-3-5-23)11-8-22-6-9-24(10-7-22)34(31,32)29-18-20-33-21-19-29/h1-11H,12-21H2,(H,26,30)/p+1/b11-8+