5-ethoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole

Systemtic Name: 5-ethoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole Openeye Name: 5-ethoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole CAS Name: 5-ethoxy-1-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]sulfonylindole IUPAC Name: 5-ethoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylindole Traditional Name: 5-ethoxy-1-[3-[(4-methylpiperazino)methyl]phenyl]sulfonyl-indole Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC(=C3)CN4CCN(CC4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC(=C3)CN4CCN(CC4)C

InChI

InChI=1S/C22H27N3O3S/c1-3-28-20-7-8-22-19(16-20)9-10-25(22)29(26,27)21-6-4-5-18(15-21)17-24-13-11-23(2)12-14-24/h4-10,15-16H,3,11-14,17H2,1-2H3