1-[4-(3-carbazol-9-yl-2-oxidanyl-propyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 1-[4-(3-carbazol-9-yl-2-oxidanyl-propyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 1-[4-(3-carbazol-9-yl-2-hydroxy-propyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 1-[4-[3-(9-carbazolyl)-2-hydroxypropyl]-1-piperazinyl]ethanesulfonic acid IUPAC Name: 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 1-[4-(3-carbazol-9-yl-2-hydroxy-propyl)piperazino]ethanesulfonic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)O

Isomeric SMILES

CC(N1CCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)S(=O)(=O)O

InChI

InChI=1S/C21H27N3O4S/c1-16(29(26,27)28)23-12-10-22(11-13-23)14-17(25)15-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,16-17,25H,10-15H2,1H3,(H,26,27,28)