[6-(diethylamino)-9-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(diethylamino)-9-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-(diethylamino)-9-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(diethylamino)-9-[2-(1-piperazinyl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [6-(diethylamino)-9-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(diethylamino)-9-(2-piperazinoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N(C3=C2CC(CC3)OS(=O)(=O)C4=CC=C(C=C4)C)CCN5CCNCC5

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N(C3=C2CC(CC3)OS(=O)(=O)C4=CC=C(C=C4)C)CCN5CCNCC5

InChI

InChI=1S/C29H40N4O3S/c1-4-32(5-2)23-8-12-28-26(20-23)27-21-24(36-37(34,35)25-10-6-22(3)7-11-25)9-13-29(27)33(28)19-18-31-16-14-30-15-17-31/h6-8,10-12,20,24,30H,4-5,9,13-19,21H2,1-3H3