2-[5-[[4-(4-nitrophenyl)piperazin-1-yl]sulfonylmethoxy]-1H-indol-3-yl]ethanamine

Systemtic Name: 2-[5-[[4-(4-nitrophenyl)piperazin-1-yl]sulfonylmethoxy]-1H-indol-3-yl]ethanamine Openeye Name: 2-[5-[[4-(4-nitrophenyl)piperazin-1-yl]sulfonylmethoxy]-1H-indol-3-yl]ethanamine CAS Name: 2-[5-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonylmethoxy]-1H-indol-3-yl]ethanamine IUPAC Name: 2-[5-[[4-(4-nitrophenyl)piperazin-1-yl]sulfonylmethoxy]-1H-indol-3-yl]ethanamine Traditional Name: 2-[5-[[4-(4-nitrophenyl)piperazino]sulfonylmethoxy]-1H-indol-3-yl]ethylamine Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)COC3=CC4=C(C=C3)NC=C4CCN

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)COC3=CC4=C(C=C3)NC=C4CCN

InChI

InChI=1S/C21H25N5O5S/c22-8-7-16-14-23-21-6-5-19(13-20(16)21)31-15-32(29,30)25-11-9-24(10-12-25)17-1-3-18(4-2-17)26(27)28/h1-6,13-14,23H,7-12,15,22H2