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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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