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

Systemtic Name: N-(2-azanylethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24ClFN4O4S MolecularWeight: 482.956063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN4O4S/c1-14-4-2-5-15(12-14)21(29)26-10-3-11-27(20(26)19(28)25-9-8-24)32(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)