N3-(1-adamantylmethyl)-N3-methyl-benzene-1,3-disulfonamide

Systemtic Name: N3-(1-adamantylmethyl)-N3-methyl-benzene-1,3-disulfonamide Openeye Name: N3-(1-adamantylmethyl)-N3-methyl-benzene-1,3-disulfonamide CAS Name: N3-(1-adamantylmethyl)-N3-methylbenzene-1,3-disulfonamide IUPAC Name: 3-N-(1-adamantylmethyl)-3-N-methylbenzene-1,3-disulfonamide Traditional Name: N'-(1-adamantylmethyl)-N'-methyl-benzene-1,3-disulfonamide Formula: C18H26N2O4S2 MolecularWeight: 398.54004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C18H26N2O4S2/c1-20(12-18-9-13-5-14(10-18)7-15(6-13)11-18)26(23,24)17-4-2-3-16(8-17)25(19,21)22/h2-4,8,13-15H,5-7,9-12H2,1H3,(H2,19,21,22)