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

Systemtic Name: ethyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: ethyl N-[4-[[3-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-2-yl]methyl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxo-2-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxopiperazin-2-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[4-[[3-keto-4-(4-vinylphenyl)sulfonyl-piperazin-2-yl]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)CC3C(=O)N(CCN3)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CC3C(=O)N(CCN3)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

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