N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-mesyl-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C16H24N4O4S MolecularWeight: 368.45116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-12-4-6-13(7-5-12)16(22)19-10-3-11-20(25(2,23)24)15(19)14(21)18-9-8-17/h4-7,15H,3,8-11,17H2,1-2H3,(H,18,21)