[6-methylsulfanyl-9-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [6-methylsulfanyl-9-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [6-methylsulfanyl-9-(2-morpholinoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [6-(methylthio)-9-[2-(4-morpholinyl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [6-methylsulfanyl-9-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [6-(methylthio)-9-(2-morpholinoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C3=C2CC(CC3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])CCN5CCOCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C3=C2CC(CC3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])CCN5CCOCC5

InChI

InChI=1S/C25H29N3O6S2/c1-35-20-5-9-25-23(17-20)22-16-19(34-36(31,32)21-6-2-18(3-7-21)28(29)30)4-8-24(22)27(25)11-10-26-12-14-33-15-13-26/h2-3,5-7,9,17,19H,4,8,10-16H2,1H3