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

Systemtic Name: N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-chloro-4-fluoro-phenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-chloro-4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-chloro-4-fluoro-phenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C20H24ClFN4O5S2 MolecularWeight: 519.009763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl)C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24ClFN4O5S2/c21-17-13-16(7-8-18(17)22)33(30,31)26-12-4-11-25(20(26)19(27)24-10-9-23)32(28,29)14-15-5-2-1-3-6-15/h1-3,5-8,13,20H,4,9-12,14,23H2,(H,24,27)