1,3-benzodioxol-5-ylmethyl-[(1R,2S)-2-(phenylsulfonylamino)-2,3-dihydro-1H-inden-1-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1R,2S)-2-(phenylsulfonylamino)-2,3-dihydro-1H-inden-1-yl]azanium Openeye Name: [(1R,2S)-2-(benzenesulfonamido)indan-1-yl]-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: [(1R,2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-1-yl]-(1,3-benzodioxol-5-ylmethyl)ammonium IUPAC Name: [(1R,2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-1-yl]-(1,3-benzodioxol-5-ylmethyl)azanium Traditional Name: [(1R,2S)-2-(benzenesulfonamido)indan-1-yl]-piperonyl-ammonium Formula: C23H23N2O4S+ MolecularWeight: 423.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC=C21)[NH2+]CC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@@H](C2=CC=CC=C21)[NH2+]CC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22N2O4S/c26-30(27,18-7-2-1-3-8-18)25-20-13-17-6-4-5-9-19(17)23(20)24-14-16-10-11-21-22(12-16)29-15-28-21/h1-12,20,23-25H,13-15H2/p+1/t20-,23+/m0/s1