3-(4-butoxyphenyl)-2,4,6-tris(oxidanylidene)-1-piperazin-1-yl-5-pyrimidin-5-yl-cyclohexane-1-sulfonamide

Systemtic Name: 3-(4-butoxyphenyl)-2,4,6-tris(oxidanylidene)-1-piperazin-1-yl-5-pyrimidin-5-yl-cyclohexane-1-sulfonamide Openeye Name: 3-(4-butoxyphenyl)-2,4,6-trioxo-1-piperazin-1-yl-5-pyrimidin-5-yl-cyclohexanesulfonamide CAS Name: 3-(4-butoxyphenyl)-2,4,6-trioxo-1-(1-piperazinyl)-5-(5-pyrimidinyl)-1-cyclohexanesulfonamide IUPAC Name: 3-(4-butoxyphenyl)-2,4,6-trioxo-1-piperazin-1-yl-5-pyrimidin-5-ylcyclohexane-1-sulfonamide Traditional Name: 3-(4-butoxyphenyl)-2,4,6-triketo-1-piperazino-5-(5-pyrimidyl)cyclohexanesulfonamide Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=O)C(C(=O)C(C2=O)(N3CCNCC3)S(=O)(=O)N)C4=CN=CN=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=O)C(C(=O)C(C2=O)(N3CCNCC3)S(=O)(=O)N)C4=CN=CN=C4

InChI

InChI=1S/C24H29N5O6S/c1-2-3-12-35-18-6-4-16(5-7-18)19-21(30)20(17-13-27-15-28-14-17)23(32)24(22(19)31,36(25,33)34)29-10-8-26-9-11-29/h4-7,13-15,19-20,26H,2-3,8-12H2,1H3,(H2,25,33,34)