[3-(2-oxidanyl-1-piperidin-4-yl-propan-2-yl)indol-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-oxidanyl-1-piperidin-4-yl-propan-2-yl)indol-1-yl] 4-methylbenzenesulfonate Openeye Name: [3-[1-hydroxy-1-methyl-2-(4-piperidyl)ethyl]indol-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-hydroxy-1-(4-piperidinyl)propan-2-yl]-1-indolyl] ester IUPAC Name: [3-(2-hydroxy-1-piperidin-4-ylpropan-2-yl)indol-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[1-hydroxy-1-methyl-2-(4-piperidyl)ethyl]indol-1-yl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C3=CC=CC=C32)C(C)(CC4CCNCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C3=CC=CC=C32)C(C)(CC4CCNCC4)O

InChI

InChI=1S/C23H28N2O4S/c1-17-7-9-19(10-8-17)30(27,28)29-25-16-21(20-5-3-4-6-22(20)25)23(2,26)15-18-11-13-24-14-12-18/h3-10,16,18,24,26H,11-15H2,1-2H3