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

Systemtic Name: N-(4-azanylcyclohexyl)-1-methylsulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C19H30N4O5S2 MolecularWeight: 458.5953

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H30N4O5S2/c1-29(25,26)22-12-5-13-23(30(27,28)14-15-6-3-2-4-7-15)19(22)18(24)21-17-10-8-16(20)9-11-17/h2-4,6-7,16-17,19H,5,8-14,20H2,1H3,(H,21,24)