[3-(azepan-1-yl)cyclobutyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(azepan-1-yl)cyclobutyl] 4-methylbenzenesulfonate Openeye Name: [3-(azepan-1-yl)cyclobutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(1-azepanyl)cyclobutyl] ester IUPAC Name: [3-(azepan-1-yl)cyclobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(azepan-1-yl)cyclobutyl] ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2)N3CCCCCC3

InChI

InChI=1S/C17H25NO3S/c1-14-6-8-17(9-7-14)22(19,20)21-16-12-15(13-16)18-10-4-2-3-5-11-18/h6-9,15-16H,2-5,10-13H2,1H3