[6-chloranyl-9-(2-pyrrolidin-1-ylethyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-chloranyl-9-(2-pyrrolidin-1-ylethyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-chloro-9-(2-pyrrolidin-1-ylethyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-chloro-9-[2-(1-pyrrolidinyl)ethyl]-8-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [6-chloro-9-(2-pyrrolidin-1-ylethyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-chloro-9-(2-pyrrolidinoethyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C26H28ClF3N2O3S MolecularWeight: 541.02533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC(=CC(=C4N3CCN5CCCC5)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC(=CC(=C4N3CCN5CCCC5)C(F)(F)F)Cl

InChI

InChI=1S/C26H28ClF3N2O3S/c1-17-4-7-20(8-5-17)36(33,34)35-19-6-9-24-21(16-19)22-14-18(27)15-23(26(28,29)30)25(22)32(24)13-12-31-10-2-3-11-31/h4-5,7-8,14-15,19H,2-3,6,9-13,16H2,1H3