N1-(3,3-dimethyl-2-oxidanylidene-butyl)-N4-ethyl-N4-(phenylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N1-(3,3-dimethyl-2-oxidanylidene-butyl)-N4-ethyl-N4-(phenylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-benzyl-N1-(3,3-dimethyl-2-oxo-butyl)-N4-ethyl-benzene-1,4-disulfonamide CAS Name: N1-(3,3-dimethyl-2-oxobutyl)-N4-ethyl-N4-(phenylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-benzyl-1-N-(3,3-dimethyl-2-oxobutyl)-4-N-ethylbenzene-1,4-disulfonamide Traditional Name: N'-benzyl-N'-ethyl-N-(2-keto-3,3-dimethyl-butyl)benzene-1,4-disulfonamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)C(C)(C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)C(C)(C)C

InChI

InChI=1S/C21H28N2O5S2/c1-5-23(16-17-9-7-6-8-10-17)30(27,28)19-13-11-18(12-14-19)29(25,26)22-15-20(24)21(2,3)4/h6-14,22H,5,15-16H2,1-4H3