1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylsulfonyl)indol-2-yl]sulfanylethanamine hydrobromide

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylsulfonyl)indol-2-yl]sulfanylethanamine hydrobromide Openeye Name: 1-[3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)indol-2-yl]sulfanylethanamine hydrobromide CAS Name: 1-[[3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)-2-indolyl]thio]ethanamine hydrobromide IUPAC Name: 1-[3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)indol-2-yl]sulfanylethanamine hydrobromide Traditional Name: 1-[(3-besyl-1-piperonyl-indol-2-yl)thio]ethylamine hydrobromide Formula: C24H23BrN2O4S2 MolecularWeight: 547.48442

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)SC1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5.Br

Isomeric SMILES

CC(N)SC1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5.Br

InChI

InChI=1S/C24H22N2O4S2.BrH/c1-16(25)31-24-23(32(27,28)18-7-3-2-4-8-18)19-9-5-6-10-20(19)26(24)14-17-11-12-21-22(13-17)30-15-29-21;/h2-13,16H,14-15,25H2,1H3;1H