N-[(2R)-butan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-butan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-methylpropyl]acetamide CAS Name: N-[(2R)-butan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-butan-2-yl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-methylpropyl]-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C18H29N3O4S/c1-4-15(3)19-18(22)14-20-10-12-21(13-11-20)26(23,24)17-8-6-16(7-9-17)25-5-2/h6-9,15H,4-5,10-14H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1