N-[2-(2-methylpropylsulfonylamino)-3-oxidanylidene-butyl]-4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzamide

Systemtic Name: N-[2-(2-methylpropylsulfonylamino)-3-oxidanylidene-butyl]-4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzamide Openeye Name: N-[2-(isobutylsulfonylamino)-3-oxo-butyl]-4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzamide CAS Name: N-[2-(2-methylpropylsulfonylamino)-3-oxobutyl]-4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzamide IUPAC Name: N-[2-(2-methylpropylsulfonylamino)-3-oxobutyl]-4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzamide Traditional Name: N-[2-(isobutylsulfonylamino)-3-keto-butyl]-4-[3-keto-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)NC(CNC(=O)C1=CC=C(C=C1)CCC(=O)NC2=NCCCN2)C(=O)C

Isomeric SMILES

CC(C)CS(=O)(=O)NC(CNC(=O)C1=CC=C(C=C1)CCC(=O)NC2=NCCCN2)C(=O)C

InChI

InChI=1S/C22H33N5O5S/c1-15(2)14-33(31,32)27-19(16(3)28)13-25-21(30)18-8-5-17(6-9-18)7-10-20(29)26-22-23-11-4-12-24-22/h5-6,8-9,15,19,27H,4,7,10-14H2,1-3H3,(H,25,30)(H2,23,24,26,29)