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

Systemtic Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-(4-nitrophenyl)acrylamide Formula: C26H34N5O5S+ MolecularWeight: 528.64366

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)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)N3CCCCC3)NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O5S/c1-2-28-16-18-29(19-17-28)25-12-11-23(37(35,36)30-14-4-3-5-15-30)20-24(25)27-26(32)13-8-21-6-9-22(10-7-21)31(33)34/h6-13,20H,2-5,14-19H2,1H3,(H,27,32)/p+1/b13-8+