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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methylphenyl)carbonyl-3-propylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-propylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methylphenyl)-oxomethyl]-3-propylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-propylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-m-toluoyl-3-propylsulfonyl-hexahydropyrimidine-2-carboxamide Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H34N4O4S/c1-3-14-31(29,30)26-13-5-12-25(22(28)17-7-4-6-16(2)15-17)21(26)20(27)24-19-10-8-18(23)9-11-19/h4,6-7,15,18-19,21H,3,5,8-14,23H2,1-2H3,(H,24,27)