5-bromanyl-3-[(4-ethylpiperazin-1-yl)methyl]-2-(phenylsulfonylmethyl)-1H-indole

Systemtic Name: 5-bromanyl-3-[(4-ethylpiperazin-1-yl)methyl]-2-(phenylsulfonylmethyl)-1H-indole Openeye Name: 2-(benzenesulfonylmethyl)-5-bromo-3-[(4-ethylpiperazin-1-yl)methyl]-1H-indole CAS Name: 2-(benzenesulfonylmethyl)-5-bromo-3-[(4-ethyl-1-piperazinyl)methyl]-1H-indole IUPAC Name: 2-(benzenesulfonylmethyl)-5-bromo-3-[(4-ethylpiperazin-1-yl)methyl]-1H-indole Traditional Name: 2-(besylmethyl)-5-bromo-3-[(4-ethylpiperazino)methyl]-1H-indole Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(NC3=C2C=C(C=C3)Br)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CC2=C(NC3=C2C=C(C=C3)Br)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26BrN3O2S/c1-2-25-10-12-26(13-11-25)15-20-19-14-17(23)8-9-21(19)24-22(20)16-29(27,28)18-6-4-3-5-7-18/h3-9,14,24H,2,10-13,15-16H2,1H3