N-(1-adamantylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(1-adamantylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(1-adamantylmethyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(1-adamantylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H34N3O3S+ MolecularWeight: 432.59936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O3S/c1-25-5-7-26(8-6-25)30(28,29)21-4-2-3-20(12-21)22(27)24-16-23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-16H2,1H3,(H,24,27)/p+1