(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylamide Formula: C22H31ClN5O3S+ MolecularWeight: 481.03124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C22H30ClN5O3S/c1-4-5-12-28-22(23)20(17(2)25-28)10-11-21(29)24-18-6-8-19(9-7-18)32(30,31)27-15-13-26(3)14-16-27/h6-11H,4-5,12-16H2,1-3H3,(H,24,29)/p+1/b11-10+