tert-butyl 1-(1H-indol-4-yl)-4-(phenylsulfonyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(1H-indol-4-yl)-4-(phenylsulfonyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(benzenesulfonyl)-1-(1H-indol-4-yl)piperazin-1-ium-1-carboxylate CAS Name: 4-(benzenesulfonyl)-1-(1H-indol-4-yl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(benzenesulfonyl)-1-(1H-indol-4-yl)piperazin-1-ium-1-carboxylate Traditional Name: 4-besyl-1-(1H-indol-4-yl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C23H28N3O4S/c1-23(2,3)30-22(27)26(21-11-7-10-20-19(21)12-13-24-20)16-14-25(15-17-26)31(28,29)18-8-5-4-6-9-18/h4-13,24H,14-17H2,1-3H3/q+1