3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole

Systemtic Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole Openeye Name: 1-(4-isopropylphenyl)sulfonyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]indole CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-(4-propan-2-ylphenyl)sulfonylindole IUPAC Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-(4-propan-2-ylphenyl)sulfonylindole Traditional Name: 3-[[4-(2-methoxyphenyl)piperazino]methyl]-1-p-cumenylsulfonyl-indole Formula: C29H33N3O3S MolecularWeight: 503.65562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H33N3O3S/c1-22(2)23-12-14-25(15-13-23)36(33,34)32-21-24(26-8-4-5-9-27(26)32)20-30-16-18-31(19-17-30)28-10-6-7-11-29(28)35-3/h4-15,21-22H,16-20H2,1-3H3