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

Systemtic Name: ethyl N-[4-[[4-(2-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: ethyl N-[4-[[2-oxo-4-(2-vinylphenyl)sulfonyl-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[4-[[4-(2-ethenylphenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-(2-ethenylphenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[4-[[2-keto-4-(2-vinylphenyl)sulfonyl-piperazino]methyl]-1-(4-pyridyl)-4-piperidyl]carbamic acid ethyl ester Formula: C26H33N5O5S MolecularWeight: 527.63572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=CC=C4C=C

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=CC=C4C=C

InChI

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