1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]-5-phenylmethoxy-indole

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]-5-phenylmethoxy-indole Openeye Name: 5-benzyloxy-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 1-(4-fluorophenyl)sulfonyl-2-[(4-methyl-1-piperazinyl)methyl]-5-phenylmethoxyindole IUPAC Name: 1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]-5-phenylmethoxyindole Traditional Name: 5-benzoxy-1-(4-fluorophenyl)sulfonyl-2-[(4-methylpiperazino)methyl]indole Formula: C27H28FN3O3S MolecularWeight: 493.592923

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC3=C(N2S(=O)(=O)C4=CC=C(C=C4)F)C=CC(=C3)OCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CC2=CC3=C(N2S(=O)(=O)C4=CC=C(C=C4)F)C=CC(=C3)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28FN3O3S/c1-29-13-15-30(16-14-29)19-24-17-22-18-25(34-20-21-5-3-2-4-6-21)9-12-27(22)31(24)35(32,33)26-10-7-23(28)8-11-26/h2-12,17-18H,13-16,19-20H2,1H3