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

Systemtic Name: N-cycloheptyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-2-28-19-9-11-20(12-10-19)29(26,27)24-15-13-23(14-16-24)17-21(25)22-18-7-5-3-4-6-8-18/h9-12,18H,2-8,13-17H2,1H3,(H,22,25)/p+1