3-[(3S)-3-methylazecan-1-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(3S)-3-methylazecan-1-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(3S)-3-methylazecan-1-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(3S)-3-methyl-1-azecanyl]propyl ester IUPAC Name: 3-[(3S)-3-methylazecan-1-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(3S)-3-methylazecan-1-yl]propyl ester Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCCCN(C1)CCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CCCCCCCN(C1)CCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H33NO3S/c1-18-10-12-20(13-11-18)25(22,23)24-16-8-15-21-14-7-5-3-4-6-9-19(2)17-21/h10-13,19H,3-9,14-17H2,1-2H3/t19-/m0/s1