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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methylphenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methylphenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-mesyl-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O4S/c1-14-5-3-6-15(13-14)20(26)23-11-4-12-24(29(2,27)28)19(23)18(25)22-17-9-7-16(21)8-10-17/h3,5-6,13,16-17,19H,4,7-12,21H2,1-2H3,(H,22,25)