ethyl 4-[[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-besyl-3-methyl-piperazino)methyl]-2-keto-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C34H38N4O6S MolecularWeight: 630.75372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H38N4O6S/c1-4-19-37-30(24-36-20-21-38(25(3)23-36)45(41,42)29-17-10-7-11-18-29)31(33(39)43-5-2)32(35-34(37)40)26-13-12-16-28(22-26)44-27-14-8-6-9-15-27/h4,6-18,22,25,32H,1,5,19-21,23-24H2,2-3H3,(H,35,40)