[6-methylsulfonyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 2-bromanyl-4-nitro-benzenesulfonate

Systemtic Name: [6-methylsulfonyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 2-bromanyl-4-nitro-benzenesulfonate Openeye Name: [6-methylsulfonyl-9-[2-(1-piperidyl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 2-bromo-4-nitro-benzenesulfonate CAS Name: 2-bromo-4-nitrobenzenesulfonic acid [6-methylsulfonyl-9-[2-(1-piperidinyl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [6-methylsulfonyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 2-bromo-4-nitrobenzenesulfonate Traditional Name: 2-bromo-4-nitro-benzenesulfonic acid [6-mesyl-9-(2-piperidinoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C26H30BrN3O7S2 MolecularWeight: 640.5663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2CC(CC3)OS(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCN5CCCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2CC(CC3)OS(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCN5CCCCC5

InChI

InChI=1S/C26H30BrN3O7S2/c1-38(33,34)20-7-9-25-22(17-20)21-16-19(6-8-24(21)29(25)14-13-28-11-3-2-4-12-28)37-39(35,36)26-10-5-18(30(31)32)15-23(26)27/h5,7,9-10,15,17,19H,2-4,6,8,11-14,16H2,1H3