ethyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate

Systemtic Name: ethyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Openeye Name: ethyl N-[3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-(4-ethenylphenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Traditional Name: N-[3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamic acid ethyl ester Formula: C26H34N5O5S+ MolecularWeight: 528.64366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C26H33N5O5S/c1-3-21-5-7-24(8-6-21)37(34,35)31(28-26(33)36-4-2)18-17-30(25(32)20-31)19-22-11-15-29(16-12-22)23-9-13-27-14-10-23/h3,5-10,13-14,22H,1,4,11-12,15-20H2,2H3/p+1