N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24ClFN4O5S MolecularWeight: 498.955463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN4O5S/c1-32-15-5-2-4-14(12-15)21(29)26-10-3-11-27(20(26)19(28)25-9-8-24)33(30,31)16-6-7-18(23)17(22)13-16/h2,4-7,12-13,20H,3,8-11,24H2,1H3,(H,25,28)