N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O5S/c1-5-14(2)19-18(22)13-20-8-10-21(11-9-20)27(23,24)17-12-15(25-3)6-7-16(17)26-4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,19,22)/p+1/t14-/m0/s1