(2R)-N-(1-adamantyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C25H38N3O4S+ MolecularWeight: 476.65192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O4S/c1-3-32-22-4-6-23(7-5-22)33(30,31)28-10-8-27(9-11-28)18(2)24(29)26-25-15-19-12-20(16-25)14-21(13-19)17-25/h4-7,18-21H,3,8-17H2,1-2H3,(H,26,29)/p+1/t18-,19?,20?,21?,25?/m1/s1