[9-(2-dimethylaminoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-(2-dimethylaminoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [9-(2-dimethylaminoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-(2-dimethylaminoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [9-(2-dimethylaminoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [9-(2-dimethylaminoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3CCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3CCN(C)C

InChI

InChI=1S/C23H28N2O3S/c1-17-8-11-19(12-9-17)29(26,27)28-18-10-13-23-21(16-18)20-6-4-5-7-22(20)25(23)15-14-24(2)3/h4-9,11-12,18H,10,13-16H2,1-3H3