N-[1-azanyl-1,2-bis(oxidanylidene)heptan-3-yl]-1-(phenylsulfonylmethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[1-azanyl-1,2-bis(oxidanylidene)heptan-3-yl]-1-(phenylsulfonylmethyl)cyclohexane-1-carboxamide Openeye Name: 1-(benzenesulfonylmethyl)-N-(1-oxamoylpentyl)cyclohexanecarboxamide CAS Name: N-(1-amino-1,2-dioxoheptan-3-yl)-1-(benzenesulfonylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-(1-amino-1,2-dioxoheptan-3-yl)-1-(benzenesulfonylmethyl)cyclohexane-1-carboxamide Traditional Name: 1-(besylmethyl)-N-(1-oxamoylpentyl)cyclohexanecarboxamide Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)N)NC(=O)C1(CCCCC1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)C(=O)N)NC(=O)C1(CCCCC1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5S/c1-2-3-12-17(18(24)19(22)25)23-20(26)21(13-8-5-9-14-21)15-29(27,28)16-10-6-4-7-11-16/h4,6-7,10-11,17H,2-3,5,8-9,12-15H2,1H3,(H2,22,25)(H,23,26)