N-(2-azanylethyl)-1-(phenylmethyl)sulfonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(phenylmethyl)sulfonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[oxo(pyridin-4-yl)methyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-isonicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C20H25N5O4S MolecularWeight: 431.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H25N5O4S/c21-9-12-23-18(26)19-24(20(27)17-7-10-22-11-8-17)13-4-14-25(19)30(28,29)15-16-5-2-1-3-6-16/h1-3,5-8,10-11,19H,4,9,12-15,21H2,(H,23,26)