N-(2-azanylethyl)-1-cyclopropylcarbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-cyclopropylcarbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C17H23FN4O4S MolecularWeight: 398.452323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)C3CC3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)C3CC3

InChI

InChI=1S/C17H23FN4O4S/c18-13-4-6-14(7-5-13)27(25,26)22-11-1-10-21(17(24)12-2-3-12)16(22)15(23)20-9-8-19/h4-7,12,16H,1-3,8-11,19H2,(H,20,23)