1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(4-p-phenetylsulfonylpiperazino)butan-1-one Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O4S/c1-2-31-20-10-12-21(13-11-20)32(29,30)27-16-14-26(15-17-27)24(28)9-5-6-19-18-25-23-8-4-3-7-22(19)23/h3-4,7-8,10-13,18,25H,2,5-6,9,14-17H2,1H3