N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(cyclopropanecarbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(cyclopropanecarbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(cyclopropanecarbonyl)hexahydropyrimidine-2-carboxamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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)NC3CCC(CC3)N)C(=O)C4CC4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4CC4

InChI

InChI=1S/C22H32N4O4S/c23-18-9-11-19(12-10-18)24-20(27)21-25(22(28)17-7-8-17)13-4-14-26(21)31(29,30)15-16-5-2-1-3-6-16/h1-3,5-6,17-19,21H,4,7-15,23H2,(H,24,27)