N2-(2-azanylethyl)-3-(4-fluorophenyl)sulfonyl-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(4-fluorophenyl)sulfonyl-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-N1-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-N1-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H26FN5O4S MolecularWeight: 463.525643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O4S/c1-15-3-7-17(8-4-15)25-21(29)26-13-2-14-27(20(26)19(28)24-12-11-23)32(30,31)18-9-5-16(22)6-10-18/h3-10,20H,2,11-14,23H2,1H3,(H,24,28)(H,25,29)