methyl 4-(4-ethenylphenyl)sulfonyl-1-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]-6-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 4-(4-ethenylphenyl)sulfonyl-1-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]-6-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[[1-(2-methyl-4-pyridyl)-4-piperidyl]amino]-6-oxo-4-(4-vinylphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-(4-ethenylphenyl)sulfonyl-1-[[1-(2-methyl-4-pyridinyl)-4-piperidinyl]amino]-6-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethenylphenyl)sulfonyl-1-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]-6-oxopiperazine-2-carboxylate Traditional Name: 6-keto-1-[[1-(2-methyl-4-pyridyl)-4-piperidyl]amino]-4-(4-vinylphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C25H31N5O5S MolecularWeight: 513.60914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCC(CC2)NN3C(CN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)C=C)C(=O)OC

Isomeric SMILES

CC1=NC=CC(=C1)N2CCC(CC2)NN3C(CN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)C=C)C(=O)OC

InChI

InChI=1S/C25H31N5O5S/c1-4-19-5-7-22(8-6-19)36(33,34)29-16-23(25(32)35-3)30(24(31)17-29)27-20-10-13-28(14-11-20)21-9-12-26-18(2)15-21/h4-9,12,15,20,23,27H,1,10-11,13-14,16-17H2,2-3H3