N-(4-azanylcyclohexyl)-1-methylsulfonyl-3-(4-nitrophenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-methylsulfonyl-3-(4-nitrophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-[(4-nitrophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-(4-nitrobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-mesyl-3-(4-nitrobenzoyl)imidazolidine-2-carboxamide Formula: C18H25N5O6S MolecularWeight: 439.486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC2CCC(CC2)N)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O6S/c1-30(28,29)22-11-10-21(18(25)12-2-8-15(9-3-12)23(26)27)17(22)16(24)20-14-6-4-13(19)5-7-14/h2-3,8-9,13-14,17H,4-7,10-11,19H2,1H3,(H,20,24)