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

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methoxyethyl)propanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyethyl)propanamide Traditional Name: (2R)-N-(2-methoxyethyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NCCOC

InChI

InChI=1S/C18H29N3O5S/c1-4-26-16-5-7-17(8-6-16)27(23,24)21-12-10-20(11-13-21)15(2)18(22)19-9-14-25-3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1