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

Systemtic Name: methyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H31N5O5S MolecularWeight: 513.60914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C25H31N5O5S/c1-3-19-4-6-21(7-5-19)36(33,34)30-17-14-27-22(23(30)31)18-25(28-24(32)35-2)10-15-29(16-11-25)20-8-12-26-13-9-20/h3-9,12-13,22,27H,1,10-11,14-18H2,2H3,(H,28,32)