[(2S)-2-oxidanyl-5-pyrrol-1-yl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyl-5-pyrrol-1-yl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-5-pyrrol-1-yl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-5-(1-pyrrolyl)pentyl] ester IUPAC Name: [(2S)-2-hydroxy-5-pyrrol-1-ylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-5-pyrrol-1-yl-pentyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCN2C=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCCN2C=CC=C2)O

InChI

InChI=1S/C16H21NO4S/c1-14-6-8-16(9-7-14)22(19,20)21-13-15(18)5-4-12-17-10-2-3-11-17/h2-3,6-11,15,18H,4-5,12-13H2,1H3/t15-/m0/s1