N-(4-azanylcyclohexyl)-1-(5-nitrofuran-2-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-nitrofuran-2-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-nitrofuran-2-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-nitro-2-furanyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-nitrofuran-2-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-nitro-2-furoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C20H25N5O7S2 MolecularWeight: 511.5718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O7S2/c21-13-4-6-14(7-5-13)22-18(26)19-23(20(27)15-8-9-16(32-15)25(28)29)10-2-11-24(19)34(30,31)17-3-1-12-33-17/h1,3,8-9,12-14,19H,2,4-7,10-11,21H2,(H,22,26)