(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)propanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Traditional Name: (2R)-N,N-diisopropyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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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)N(C(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4S/c1-7-28-19-8-10-20(11-9-19)29(26,27)23-14-12-22(13-15-23)18(6)21(25)24(16(2)3)17(4)5/h8-11,16-18H,7,12-15H2,1-6H3/p+1/t18-/m1/s1