5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-(phenylsulfonyl)indole

Systemtic Name: 5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 1-(benzenesulfonyl)-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]indole IUPAC Name: 1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole Traditional Name: 1-besyl-5-methoxy-3-[(4-methylpiperazino)methyl]indole Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c1-22-10-12-23(13-11-22)15-17-16-24(21-9-8-18(27-2)14-20(17)21)28(25,26)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3