ethyl N-[1-(4-ethenylphenyl)sulfonyl-2-methyl-4-(2-methylpyridin-4-yl)-3-oxidanylidene-2-piperidin-4-yl-piperazin-1-ium-1-yl]carbamate

Systemtic Name: ethyl N-[1-(4-ethenylphenyl)sulfonyl-2-methyl-4-(2-methylpyridin-4-yl)-3-oxidanylidene-2-piperidin-4-yl-piperazin-1-ium-1-yl]carbamate Openeye Name: ethyl N-[2-methyl-4-(2-methyl-4-pyridyl)-3-oxo-2-(4-piperidyl)-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-(4-ethenylphenyl)sulfonyl-2-methyl-4-(2-methyl-4-pyridinyl)-3-oxo-2-(4-piperidinyl)-1-piperazin-1-iumyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-(4-ethenylphenyl)sulfonyl-2-methyl-4-(2-methylpyridin-4-yl)-3-oxo-2-piperidin-4-ylpiperazin-1-ium-1-yl]carbamate Traditional Name: N-[3-keto-2-methyl-4-(2-methyl-4-pyridyl)-2-(4-piperidyl)-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamic acid ethyl ester Formula: C27H36N5O5S+ MolecularWeight: 542.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1(C)C2CCNCC2)C3=CC(=NC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1(C)C2CCNCC2)C3=CC(=NC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C27H35N5O5S/c1-5-21-7-9-24(10-8-21)38(35,36)32(30-26(34)37-6-2)18-17-31(23-13-16-29-20(3)19-23)25(33)27(32,4)22-11-14-28-15-12-22/h5,7-10,13,16,19,22,28H,1,6,11-12,14-15,17-18H2,2-4H3/p+1