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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]acrylamide Formula: C26H34ClN4O3S+ MolecularWeight: 518.09116

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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)Cl

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)Cl

InChI

InChI=1S/C26H33ClN4O3S/c1-2-29-16-18-30(19-17-29)25-12-11-23(35(33,34)31-14-4-3-5-15-31)20-24(25)28-26(32)13-8-21-6-9-22(27)10-7-21/h6-13,20H,2-5,14-19H2,1H3,(H,28,32)/p+1/b13-8+