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

Systemtic Name: (2R)-N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopentyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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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)NC3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-3-27-18-8-10-19(11-9-18)28(25,26)23-14-12-22(13-15-23)16(2)20(24)21-17-6-4-5-7-17/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1