ethyl 4-[(1S,2S)-2-(phenylsulfonylamino)-2,3-dihydro-1H-inden-1-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1S,2S)-2-(phenylsulfonylamino)-2,3-dihydro-1H-inden-1-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S,2S)-2-(benzenesulfonamido)indan-1-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1S,2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-1-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1S,2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-1-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S,2S)-2-(benzenesulfonamido)indan-1-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N3O4S+ MolecularWeight: 430.54042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2C(CC3=CC=CC=C23)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H]2[C@H](CC3=CC=CC=C23)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4S/c1-2-29-22(26)25-14-12-24(13-15-25)21-19-11-7-6-8-17(19)16-20(21)23-30(27,28)18-9-4-3-5-10-18/h3-11,20-21,23H,2,12-16H2,1H3/p+1/t20-,21-/m0/s1