2-[1-(phenylmethyl)-3-(phenylsulfonyl)indol-2-yl]sulfanylethanamine

Systemtic Name: 2-[1-(phenylmethyl)-3-(phenylsulfonyl)indol-2-yl]sulfanylethanamine Openeye Name: 2-[3-(benzenesulfonyl)-1-benzyl-indol-2-yl]sulfanylethanamine CAS Name: 2-[[3-(benzenesulfonyl)-1-(phenylmethyl)-2-indolyl]thio]ethanamine IUPAC Name: 2-[3-(benzenesulfonyl)-1-benzylindol-2-yl]sulfanylethanamine Traditional Name: 2-[(1-benzyl-3-besyl-indol-2-yl)thio]ethylamine Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2SCCN)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2SCCN)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c24-15-16-28-23-22(29(26,27)19-11-5-2-6-12-19)20-13-7-8-14-21(20)25(23)17-18-9-3-1-4-10-18/h1-14H,15-17,24H2