N-(4-azanylcyclohexyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(5-bromopyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(5-bromopyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(5-bromonicotinoyl)hexahydropyrimidine-2-carboxamide Formula: C24H30BrN5O4S MolecularWeight: 564.4951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C24H30BrN5O4S/c25-19-13-18(14-27-15-19)24(32)29-11-4-12-30(35(33,34)16-17-5-2-1-3-6-17)23(29)22(31)28-21-9-7-20(26)8-10-21/h1-3,5-6,13-15,20-21,23H,4,7-12,16,26H2,(H,28,31)