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

Systemtic Name: 2-[(4-methylpiperazin-1-yl)methyl]-5-phenylmethoxy-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-5-benzyloxy-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 1-(benzenesulfonyl)-2-[(4-methyl-1-piperazinyl)methyl]-5-phenylmethoxyindole IUPAC Name: 1-(benzenesulfonyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-phenylmethoxyindole Traditional Name: 5-benzoxy-1-besyl-2-[(4-methylpiperazino)methyl]indole Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-28-14-16-29(17-15-28)20-24-18-23-19-25(33-21-22-8-4-2-5-9-22)12-13-27(23)30(24)34(31,32)26-10-6-3-7-11-26/h2-13,18-19H,14-17,20-21H2,1H3