5-bromanyl-2-[(4-methylphenyl)sulfonylmethyl]-3-[(4-methylpiperazin-1-yl)methyl]-1H-indole

Systemtic Name: 5-bromanyl-2-[(4-methylphenyl)sulfonylmethyl]-3-[(4-methylpiperazin-1-yl)methyl]-1H-indole Openeye Name: 5-bromo-3-[(4-methylpiperazin-1-yl)methyl]-2-(p-tolylsulfonylmethyl)-1H-indole CAS Name: 5-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole IUPAC Name: 5-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3-[(4-methylpiperazin-1-yl)methyl]-1H-indole Traditional Name: 5-bromo-3-[(4-methylpiperazino)methyl]-2-(tosylmethyl)-1H-indole Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C3=C(N2)C=CC(=C3)Br)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C3=C(N2)C=CC(=C3)Br)CN4CCN(CC4)C

InChI

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